primary_name string | cas_number string | cid int64 | iupac_name string | canonical_smiles string | inchi string | inchi_key string | molecular_formula string | molecular_weight float64 | exact_mass float64 | xlogp float64 | tpsa float64 | complexity int64 | charge int64 | h_bond_donor_count int64 | h_bond_acceptor_count int64 | rotatable_bond_count int64 | heavy_atom_count int64 | flash_point string | boiling_point string | acute_aquatic_toxicity int64 | acute_toxicity_dermal int64 | acute_toxicity_inhalation int64 | acute_toxicity_oral int64 | aspiration_hazard int64 | carcinogenicity int64 | chronic_aquatic_toxicity int64 | eye_damage_irritation int64 | flammable_liquids int64 | flammable_solids int64 | germ_cell_mutagenicity int64 | metal_corrosion int64 | organic_peroxides int64 | reproductive_toxicity int64 | respiratory_sensitization int64 | self_reactive_substances int64 | skin_corrosion_irritation int64 | skin_sensitization int64 | stot_repeated_exposure int64 | stot_single_exposure int64 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
IRON SULFIDE | 012068-85-8 | 123,110 | null | [S-][S-].[Fe+2] | InChI=1S/Fe.S2/c;1-2/q+2;-2 | NIFIFKQPDTWWGU-UHFFFAOYSA-N | FeS2 | 119.98 | 119.879078 | null | 2 | 2 | 0 | 0 | 2 | 0 | 3 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 |
NICKEL CYANIDE | 000557-19-7 | 6,093,189 | nickel(2+) dicyanide | [C-]#N.[C-]#N.[Ni+2] | InChI=1S/2CN.Ni/c2*1-2;/q2*-1;+2 | NLEUXPOVZGDKJI-UHFFFAOYSA-N | C2N2Ni | 110.73 | 109.94149 | null | 47.6 | 10 | 0 | 0 | 4 | 0 | 5 | Not Applicable. Not flammable. (USCG, 1999) | Decomposes. (USCG, 1999) | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 |
TRANS-PLATINUM-II-DIAMINE DICHLORIDE | 014913-33-8 | 441,203 | azane;dichloroplatinum(2+) | N.N.Cl[Pt+2]Cl | InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+4/p-2 | BSJGASKRWFKGMV-UHFFFAOYSA-L | Cl2H6N2Pt+2 | 300.05 | 298.955598 | null | 2 | 7 | 2 | 2 | 2 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 |
COBALT IRON OXIDE | 012052-28-7 | 44,602,546 | cobalt(2+);bis(iron(3+));tetrakis(oxygen(2-)) | [O-2].[O-2].[O-2].[O-2].[Fe+3].[Fe+3].[Co+2] | InChI=1S/Co.2Fe.4O/q+2;2*+3;4*-2 | MMOVVVBHLUGHGW-UHFFFAOYSA-N | CoFe2O4 | 234.62 | 234.782723 | null | 4 | 0 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 |
COPPER CHROMITE, BARIUM PROMOTED | 099328-50-4 | 168,006,805 | null | N.N.[N+](=O)(O)[O-].[N+](=O)(O)[O-].O[Cr](=O)(=O)O.[Cu].[Ba] | InChI=1S/Ba.Cr.Cu.2HNO3.2H3N.2H2O.2O/c;;;2*2-1(3)4;;;;;;/h;;;2*(H,2,3,4);2*1H3;2*1H2;;/q;+2;;;;;;;;;/p-2 | WJJZLLHSHLVOJE-UHFFFAOYSA-L | BaCrCuH10N4O10 | 478.97 | 478.815041 | null | 209 | 106 | 0 | 6 | 12 | 0 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
NICKEL BORIDE | 012007-00-0 | 82,791 | boranylidynenickel | B#[Ni] | InChI=1S/B.Ni | QDWJUBJKEHXSMT-UHFFFAOYSA-N | BNi | 69.51 | 68.944647 | null | 0 | 10 | 0 | 0 | 0 | 0 | 2 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 |
HYDRAZINECARBOXIMIDAMIDE, SULFATE (2:1) | 000996-19-0 | 2,734,952 | bis(2-aminoguanidine);sulfuric acid | C(=NN)(N)N.C(=NN)(N)N.OS(=O)(=O)O | InChI=1S/2CH6N4.H2O4S/c2*2-1(3)5-4;1-5(2,3)4/h2*4H2,(H4,2,3,5);(H2,1,2,3,4) | VKGQPUZNCZPZKI-UHFFFAOYSA-N | C2H14N8O4S | 246.25 | 246.085872 | null | 264 | 123 | 0 | 8 | 8 | 0 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 |
NICKEL(II) PHOSPHATE HYDRATE | 027176-17-6 | 71,317,428 | tris(nickel(2+));diphosphate;hydrate | O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ni+2].[Ni+2].[Ni+2] | InChI=1S/3Ni.2H3O4P.H2O/c;;;2*1-5(2,3)4;/h;;;2*(H3,1,2,3,4);1H2/q3*+2;;;/p-6 | PZLMPZGLQBNCKC-UHFFFAOYSA-H | H2Ni3O9P2 | 384.04 | 383.718874 | null | 174 | 36 | 0 | 1 | 9 | 0 | 14 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 |
POLY(1,4-BUTYLENE SUCCINATE), EXTENDED WITH 1,6- DIISOCYANATOHEXANE | 143606-53-5 | 156,593,869 | butanedioic acid;butane-1,4-diol;1,6-diisocyanatohexane | C(CCCN=C=O)CCN=C=O.C(CCO)CO.C(CC(=O)O)C(=O)O | InChI=1S/C8H12N2O2.C4H6O4.C4H10O2/c11-7-9-5-3-1-2-4-6-10-8-12;5-3(6)1-2-4(7)8;5-3-1-2-4-6/h1-6H2;1-2H2,(H,5,6)(H,7,8);5-6H,1-4H2 | ZZJQLLHZQMYHEA-UHFFFAOYSA-N | C16H28N2O8 | 376.4 | 376.184566 | null | 174 | 279 | 0 | 4 | 10 | 13 | 26 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 |
1-IODO-2-(2-IODOETHOXY)ETHANE | 034270-90-1 | 3,430,779 | 1-iodo-2-(2-iodoethoxy)ethane | C(CI)OCCI | InChI=1S/C4H8I2O/c5-1-3-7-4-2-6/h1-4H2 | XWYDQETVMJZUOJ-UHFFFAOYSA-N | C4H8I2O | 325.91 | 325.86646 | 2.3 | 9.2 | 28 | 0 | 0 | 1 | 4 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
2,4,7,9-TETRAMETHYL-5-DECYNE-4,7-DIOL | 000126-86-3 | 31,362 | 2,4,7,9-tetramethyldec-5-yne-4,7-diol | CC(C)CC(C)(C#CC(C)(CC(C)C)O)O | InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3 | LXOFYPKXCSULTL-UHFFFAOYSA-N | C14H26O2 | 226.35 | 226.19328 | 2.7 | 40.5 | 256 | 0 | 2 | 2 | 6 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
3-HEXYNE-2,5-DIOL, 2,5-DIMETHYL- | 000142-30-3 | 8,883 | 2,5-dimethylhex-3-yne-2,5-diol | CC(C)(C#CC(C)(C)O)O | InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3 | IHJUECRFYCQBMW-UHFFFAOYSA-N | C8H14O2 | 142.2 | 142.09938 | 0.1 | 40.5 | 160 | 0 | 2 | 2 | 2 | 10 | null | 205 °C @ 759 MM HG | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 |
ACETIC ACID, COBALT(3+) SALT | 000917-69-1 | 61,231 | cobalt(3+) triacetate | CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Co+3] | InChI=1S/3C2H4O2.Co/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3 | ZUKDFIXDKRLHRB-UHFFFAOYSA-K | C6H9CoO6 | 236.06 | 235.973107 | null | 120 | 25 | 0 | 0 | 6 | 0 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 1 |
ALUMINUM COBALT OXIDE (AL2COO4) | 001333-88-6 | 71,816,266 | dialuminum;cobalt(2+);tetrakis(oxygen(2-)) | [O-2].[O-2].[O-2].[O-2].[Al+3].[Al+3].[Co+2] | InChI=1S/2Al.Co.4O/q2*+3;+2;4*-2 | LTXHKPDRHPMBKA-UHFFFAOYSA-N | Al2CoO4 | 176.894 | 176.875929 | null | 4 | 0 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 |
ALUMINUM NICKEL OXIDE (AL2NIO4) | 012004-35-2 | 44,149,031 | dialuminum;nickel(2+);tetrakis(oxygen(2-)) | [O-2].[O-2].[O-2].[O-2].[Al+3].[Al+3].[Ni+2] | InChI=1S/2Al.Ni.4O/q2*+3;+2;4*-2 | OADDCINVIUHXGF-UHFFFAOYSA-N | Al2NiO4 | 176.654 | 175.878077 | null | 4 | 0 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 |
COBALT, BIS[CARBONATO(2-)]HEXAHYDROXYPENTA- | 012602-23-2 | 14,274,759 | pentakis(cobalt(2+));dicarbonate;hexahydroxide | C(=O)([O-])[O-].C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2] | InChI=1S/2CH2O3.5Co.6H2O/c2*2-1(3)4;;;;;;;;;;;/h2*(H2,2,3,4);;;;;;6*1H2/q;;5*+2;;;;;;/p-10 | HIYNGBUQYVBFLA-UHFFFAOYSA-D | C2H6Co5O12 | 516.73 | 516.65189 | null | 132 | 18 | 0 | 6 | 12 | 0 | 19 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 |
MOLYBDENUM NICKEL OXIDE | 012673-58-4 | 44,149,518 | molybdenum;nickel(2+);tetrakis(oxygen(2-)) | [O-2].[O-2].[O-2].[O-2].[Ni+2].[Mo] | InChI=1S/Mo.Ni.4O/q;+2;4*-2 | NMOQDZSTICHOQM-UHFFFAOYSA-N | MoNiO4-6 | 218.64 | 219.820404 | null | 4 | 0 | -6 | 0 | 4 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 |
PHOSPHINODITHIOIC ACID, BIS(2-METHYLPROPYL)-, SODIUM SALT | 013360-78-6 | 23,672,293 | sodium bis(2-methylpropyl)-sulfanylidene-sulfido-lambda5-phosphane | CC(C)CP(=S)(CC(C)C)[S-].[Na+] | InChI=1S/C8H19PS2.Na/c1-7(2)5-9(10,11)6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,10,11);/q;+1/p-1 | OJNSBQOHIIYIQN-UHFFFAOYSA-M | C8H18NaPS2 | 232.3 | 232.048524 | null | 33.1 | 143 | 0 | 0 | 2 | 4 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
PRASEODYMIUM IODIDE (PRI3) | 013813-23-5 | 83,744 | triiodopraseodymium | I[Pr](I)I | InChI=1S/3HI.Pr/h3*1H;/q;;;+3/p-3 | PVEVRIVGNKNWML-UHFFFAOYSA-K | I3Pr | 521.6211 | 521.6211 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 |
DIPHOSPHORIC ACID, COBALT(2+) SALT (1:2) | 014640-56-3 | 167,130 | bis(cobalt(2+));phosphonato phosphate | [O-]P(=O)([O-])OP(=O)([O-])[O-].[Co+2].[Co+2] | InChI=1S/2Co.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4 | JECJVZVHLPZRNM-UHFFFAOYSA-J | Co2O7P2 | 291.81 | 291.778313 | null | 136 | 124 | 0 | 0 | 7 | 0 | 11 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 |
DYSPROSIUM IODIDE (DYI3) | 015474-63-2 | 84,931 | dysprosium(3+) triiodide | [I-].[I-].[I-].[Dy+3] | InChI=1S/Dy.3HI/h;3*1H/q+3;;;/p-3 | RZQFCZYXPRKMTP-UHFFFAOYSA-K | DyI3 | 543.213 | 544.6426 | null | 0 | 0 | 0 | 0 | 3 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 |
CHROMIC ACID (H2CR2O7), NICKEL(2+) SALT (1:1) | 015586-38-6 | 85,002 | nickel(2+);oxido-(oxido(dioxo)chromio)oxy-dioxochromium | [O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Ni+2] | InChI=1S/2Cr.Ni.7O/q;;+2;;;;;;2*-1 | PLHASFSAGNOMLM-UHFFFAOYSA-N | Cr2NiO7 | 274.68 | 273.780753 | null | 124 | 194 | 0 | 0 | 7 | 0 | 10 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 |
NICKEL URANIUM OXIDE (NIU3O10) | 015780-33-3 | 85,096 | null | [O-][U](=O)(=O)O[U](=O)(=O)O[U](=O)(=O)[O-].[Ni+2] | InChI=1S/Ni.10O.3U/q+2;;;;;;;;;2*-1;;; | WTMASFUHFYWMEU-UHFFFAOYSA-N | NiO10U3 | 932.77 | 932.03685 | null | 167 | 371 | 0 | 0 | 10 | 2 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 |
TELLURIC ACID (H2TEO3), NICKEL(2+) SALT (1:1) | 015851-52-2 | 167,478 | nickel(2+) tellurite | [O-][Te](=O)[O-].[Ni+2] | InChI=1S/Ni.H2O3Te/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2 | CMLGVHIYOLIDTE-UHFFFAOYSA-L | NiO3Te | 234.3 | 235.826308 | null | 63.2 | 18 | 0 | 0 | 3 | 0 | 5 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 |
TELLURIC ACID (H2TEO4), NICKEL(2+) SALT (1:1) | 015852-21-8 | 167,483 | nickel(2+) tellurate | [O-][Te](=O)(=O)[O-].[Ni+2] | InChI=1S/Ni.H2O4Te/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 | JWTUERYYWTZBJA-UHFFFAOYSA-L | NiO4Te | 250.3 | 251.821223 | null | 80.3 | 62 | 0 | 0 | 4 | 0 | 6 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 |
SILICATE(2-), HEXAFLUORO-, NICKEL(2+) (1:1) | 026043-11-8 | 13,955,720 | hexafluorosilicon(2-);nickel(2+) | F[Si-2](F)(F)(F)(F)F.[Ni+2] | InChI=1S/F6Si.Ni/c1-7(2,3,4,5)6;/q-2;+2 | DTEGYNSFDBDJNH-UHFFFAOYSA-N | F6NiSi | 200.769 | 199.902687 | null | 0 | 62 | 0 | 0 | 7 | 0 | 8 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 |
1-OCTANESULFONYL CHLORIDE, 3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUORO- | 027619-89-2 | 119,685 | 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonyl chloride | C(CS(=O)(=O)Cl)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F | InChI=1S/C8H4ClF13O2S/c9-25(23,24)2-1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-2H2 | NDBZVZPOTNLWLU-UHFFFAOYSA-N | C8H4ClF13O2S | 446.61 | 445.941294 | 5.2 | 42.5 | 588 | 0 | 0 | 15 | 7 | 25 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 |
SILICIC ACID (H2SIO3), NICKEL(2+) SALT (4:3) | 031748-25-1 | 169,355 | tetrakis(dioxido(oxo)silane);tris(nickel(2+)) | [O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Ni+2].[Ni+2].[Ni+2] | InChI=1S/3Ni.4O3Si/c;;;4*1-4(2)3/q3*+2;4*-2 | ASXBPHUHJDRIAA-UHFFFAOYSA-N | Ni3O12Si4-2 | 480.41 | 479.64815 | null | 253 | 18 | -2 | 0 | 12 | 0 | 19 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 |
SILICIC ACID, NICKEL SALT | 037321-15-6 | 169,908 | dioxido(oxo)silane;nickel(2+) | [O-][Si](=O)[O-].[Ni+2] | InChI=1S/Ni.O3Si/c;1-4(2)3/q+2;-2 | FMQXRRZIHURSLR-UHFFFAOYSA-N | NiO3Si | 134.777 | 133.897012 | null | 63.2 | 18 | 0 | 0 | 3 | 0 | 5 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 |
HEXANEDIOIC ACID, ESTER WITH 2,2-BIS(HYDROXYMETHYL)-1,3-PROPANEDIOL | 052627-55-1 | 104,264 | 2,2-bis(hydroxymethyl)propane-1,3-diol;hexanedioic acid | C(CCC(=O)O)CC(=O)O.C(C(CO)(CO)CO)O | InChI=1S/C6H10O4.C5H12O4/c7-5(8)3-1-2-4-6(9)10;6-1-5(2-7,3-8)4-9/h1-4H2,(H,7,8)(H,9,10);6-9H,1-4H2 | NAEDWKNFXVUORY-UHFFFAOYSA-N | C11H22O8 | 282.29 | 282.131468 | null | 156 | 166 | 0 | 6 | 8 | 9 | 19 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
CHROMIUM COBALT IRON OXIDE | 063497-09-6 | 6,454,624 | chromium(3+);cobalt(2+);iron(3+);tetrakis(oxygen(2-)) | [O-2].[O-2].[O-2].[O-2].[Cr+3].[Fe+3].[Co+2] | InChI=1S/Co.Cr.Fe.4O/q+2;2*+3;4*-2 | JGKGEXCILSDQBF-UHFFFAOYSA-N | CoCrFeO4 | 230.77 | 230.788292 | null | 4 | 0 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 |
CHLORIC ACID, NICKEL(2+) SALT | 067952-43-6 | 162,212 | nickel(2+) dichlorate | [O-]Cl(=O)=O.[O-]Cl(=O)=O.[Ni+2] | InChI=1S/2ClHO3.Ni/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2 | RZLUIDROFNIMHF-UHFFFAOYSA-L | Cl2NiO6 | 225.59 | 223.842535 | null | 114 | 36 | 0 | 0 | 6 | 0 | 9 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 |
1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, AMMONIUM NICKEL(2+) SALT (2:2:1) | 068025-13-8 | 172,101 | azanium;2-hydroxypropane-1,2,3-tricarboxylate;nickel(2+) | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[Ni+2] | InChI=1S/C6H8O7.H3N.Ni/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3;/q;;+2/p-2 | QVIDGJRVLOQYJX-UHFFFAOYSA-L | C6H9NNiO7 | 265.83 | 264.973243 | null | 142 | 211 | 0 | 2 | 7 | 2 | 15 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 |
MOLYBDENUM NICKEL HYDROXIDE OXIDE PHOSPHATE | 068130-36-9 | 176,236 | molybdenum;nickel(2+);oxygen(2-);hydroxide;phosphate | [OH-].[O-2].[O-]P(=O)([O-])[O-].[Ni+2].[Mo] | InChI=1S/Mo.Ni.H3O4P.H2O.O/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);1H2;/q;+2;;;-2/p-4 | KNQDGGOTQNRXGB-UHFFFAOYSA-J | HMoNiO6P-4 | 282.62 | 283.79182 | null | 88.3 | 36 | -4 | 1 | 6 | 0 | 9 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 |
C.I. PIGMENT GREEN 50 | 068186-85-6 | 162,786,626 | calcium;lithium;magnesium;zinc;cobalt(2+);iron(3+);nickel(2+);oxygen(2-);titanium(4+) | [Li+].[O-2].[Mg+2].[Ca+2].[Ti+4].[Fe+3].[Co+2].[Ni+2].[Zn+2] | InChI=1S/Ca.Co.Fe.Li.Mg.Ni.O.Ti.Zn/q2*+2;+3;+1;2*+2;-2;+4;+2 | JOZKGELABZLNCA-UHFFFAOYSA-N | CaCoFeLiMgNiOTiZn+16 | 374.1 | 371.639104 | null | 1 | 0 | 16 | 0 | 1 | 0 | 9 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 |
NICKEL ZIRCONIUM OXIDE (NIZRO3) | 070692-93-2 | 172,568 | nickel(2+);tris(oxygen(2-));zirconium(4+) | [O-2].[O-2].[O-2].[Ni+2].[Zr+4] | InChI=1S/Ni.3O.Zr/q+2;3*-2;+4 | IOKPLNQRQWZPGF-UHFFFAOYSA-N | NiO3Zr | 197.91 | 195.824784 | null | 3 | 0 | 0 | 0 | 3 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 |
PHOSPHINODITHIOIC ACID, DIBUTYL-, SODIUM SALT | 071550-48-6 | 23,710,478 | sodium dibutyl-sulfanylidene-sulfido-lambda5-phosphane | CCCCP(=S)(CCCC)[S-].[Na+] | InChI=1S/C8H19PS2.Na/c1-3-5-7-9(10,11)8-6-4-2;/h3-8H2,1-2H3,(H,10,11);/q;+1/p-1 | VVYDGZBJOATDQQ-UHFFFAOYSA-M | C8H18NaPS2 | 232.3 | 232.048524 | null | 33.1 | 127 | 0 | 0 | 2 | 6 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
ISONONANOIC ACID, NICKEL(2+) SALT | 084852-37-9 | 174,395 | bis(7-methyloctanoate);nickel(2+) | CC(C)CCCCCC(=O)[O-].CC(C)CCCCCC(=O)[O-].[Ni+2] | InChI=1S/2C9H18O2.Ni/c2*1-8(2)6-4-3-5-7-9(10)11;/h2*8H,3-7H2,1-2H3,(H,10,11);/q;;+2/p-2 | MQECQEPRKLPYHX-UHFFFAOYSA-L | C18H34NiO4 | 373.2 | 372.181051 | null | 80.3 | 103 | 0 | 0 | 4 | 10 | 23 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 |
3-((bis(2-methylpropoxy)phosphinothioyl)thio)-2-methylpropanoic acid | 268567-32-4 | 57,357,853 | 3-[bis(2-methylpropoxy)phosphinothioylsulfanyl]-2-methylpropanoic acid | CC(C)COP(=S)(OCC(C)C)SCC(C)C(=O)O | InChI=1S/C12H25O4PS2/c1-9(2)6-15-17(18,16-7-10(3)4)19-8-11(5)12(13)14/h9-11H,6-8H2,1-5H3,(H,13,14) | NPRQLWMILWHEDI-UHFFFAOYSA-N | C12H25O4PS2 | 328.4 | 328.093189 | 4.4 | 113 | 305 | 0 | 1 | 6 | 10 | 19 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
COBALT LITHIUM MANGANESE NICKEL OXIDE | 179802-95-0 | 169,407,970 | dilithium;bis(cobalt(2+));bis(manganese(2+));bis(nickel(2+));heptakis(oxygen(2-)) | [Li+].[Li+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Mn+2].[Mn+2].[Co+2].[Co+2].[Ni+2].[Ni+2] | InChI=1S/2Co.2Li.2Mn.2Ni.7O/q2*+2;2*+1;4*+2;7*-2 | FGGMMDCONZKOHF-UHFFFAOYSA-N | Co2Li2Mn2Ni2O7 | 471.1 | 469.60957 | null | 7 | 0 | 0 | 0 | 7 | 0 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 |
NICKEL IODIDE | 013462-90-3 | 26,038 | diiodonickel | [Ni](I)I | InChI=1S/2HI.Ni/h2*1H;/q;;+2/p-2 | BFSQJYRFLQUZKX-UHFFFAOYSA-L | I2Ni | 312.502 | 311.74429 | null | 0 | 2 | 0 | 0 | 0 | 0 | 3 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 |
MAGNESIUM CHROMATE HYDRATE | 016569-85-0 | 516,851 | magnesium;dioxido(dioxo)chromium;hydrate | O.[O-][Cr](=O)(=O)[O-].[Mg+2] | InChI=1S/Cr.Mg.H2O.4O/h;;1H2;;;;/q;+2;;;;2*-1 | BWDANDPWLRGULC-UHFFFAOYSA-N | CrH2MgO5 | 158.31 | 157.91577 | null | 81.3 | 62 | 0 | 1 | 5 | 0 | 7 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
ACETYL TRIETHYL CITRATE | 000077-89-4 | 6,504 | triethyl 2-acetyloxypropane-1,2,3-tricarboxylate | CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C | InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3 | WEAPVABOECTMGR-UHFFFAOYSA-N | C14H22O8 | 318.32 | 318.131468 | 0.6 | 105 | 395 | 0 | 0 | 8 | 13 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
DIBUTYL FUMARATE | 000105-75-9 | 5,271,570 | dibutyl (E)-but-2-enedioate | CCCCOC(=O)/C=C/C(=O)OCCCC | InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+ | JBSLOWBPDRZSMB-BQYQJAHWSA-N | C12H20O4 | 228.28 | 228.136159 | 2.7 | 52.6 | 209 | 0 | 0 | 4 | 10 | 16 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 |
MERCURIC SULFIDE | 001344-48-5 | 62,402 | sulfanylidenemercury | S=[Hg] | InChI=1S/Hg.S | QXKXDIKCIPXUPL-UHFFFAOYSA-N | HgS | 232.66 | 233.942715 | null | 32.1 | 2 | 0 | 0 | 1 | 0 | 2 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
SUCCINAMIDE | 000110-14-5 | 8,036 | butanediamide | C(CC(=O)N)C(=O)N | InChI=1S/C4H8N2O2/c5-3(7)1-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8) | SNCZNSNPXMPCGN-UHFFFAOYSA-N | C4H8N2O2 | 116.12 | 116.058578 | -2.1 | 86.2 | 96 | 0 | 2 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
ETHYLENE DIMETHACRYLATE | 000097-90-5 | 7,355 | 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate | CC(=C)C(=O)OCCOC(=O)C(=C)C | InChI=1S/C10H14O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h1,3,5-6H2,2,4H3 | STVZJERGLQHEKB-UHFFFAOYSA-N | C10H14O4 | 198.22 | 198.089209 | 1.9 | 52.6 | 237 | 0 | 0 | 4 | 7 | 14 | 101 °C c.c. | 260 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 |
POTASSIUM NIOBATE | 012030-85-2 | 166,177,182 | octapotassium;hexakis(niobium(5+));nonadecakis(oxygen(2-)) | [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5] | InChI=1S/8K.6Nb.19O/q8*+1;6*+5;19*-2 | GCDFIJPZDKYCQY-UHFFFAOYSA-N | K8Nb6O19 | 1,174.21 | 1,173.05127 | null | 19 | 0 | 0 | 0 | 19 | 0 | 33 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
HYDROXYPROPYL METHACRYLATE | 027813-02-1 | 34,023 | 1-hydroxypropan-2-yl 2-methylprop-2-enoate | CC(CO)OC(=O)C(=C)C | InChI=1S/C7H12O3/c1-5(2)7(9)10-6(3)4-8/h6,8H,1,4H2,2-3H3 | ZMARGGQEAJXRFP-UHFFFAOYSA-N | C7H12O3 | 144.17 | 144.078644 | 1.2 | 46.5 | 140 | 0 | 1 | 3 | 4 | 10 | 250 °F (USCG, 1999) | Boiling point: 87 °C @ 0.67 kPa; Specific gravity: 1.028 @ 25 °C /2-Hydroxypropyl methacrylate/ | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
PYRUVIC ACID SODIUM | 000113-24-6 | 23,662,274 | sodium 2-oxopropanoate | CC(=O)C(=O)[O-].[Na+] | InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1 | DAEPDZWVDSPTHF-UHFFFAOYSA-M | C3H3NaO3 | 110.04 | 109.997988 | null | 57.2 | 88 | 0 | 0 | 3 | 1 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
GALLIUM NITRIDE | 025617-97-4 | 117,559 | azanylidynegallane | N#[Ga] | InChI=1S/Ga.N | JMASRVWKEDWRBT-UHFFFAOYSA-N | GaN | 83.73 | 82.92865 | null | 23.8 | 10 | 0 | 0 | 1 | 0 | 2 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
CERIUM TUNGSTEN OXIDE | 013454-74-5 | 166,812 | bis(cerium(3+));nonakis(oxygen(2-));tungsten | [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ce+3].[Ce+3].[W].[W] | InChI=1S/2Ce.9O.2W/q2*+3;9*-2;; | PMMOMAJHUNGVIB-UHFFFAOYSA-N | Ce2O9W2-12 | 791.9 | 793.67043 | null | 9 | 0 | -12 | 0 | 9 | 0 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
ACETALDEHYDE SODIUM BISULFITE | 000918-04-7 | 23,683,752 | sodium 1-hydroxyethanesulfonate | CC(O)S(=O)(=O)[O-].[Na+] | InChI=1S/C2H6O4S.Na/c1-2(3)7(4,5)6;/h2-3H,1H3,(H,4,5,6);/q;+1/p-1 | CZDZQGXAHZVGPL-UHFFFAOYSA-M | C2H5NaO4S | 148.12 | 147.980624 | null | 85.8 | 133 | 0 | 1 | 4 | 1 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
LINOLENIC ACID | 000463-40-1 | 5,280,934 | (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- | DTOSIQBPPRVQHS-PDBXOOCHSA-N | C18H30O2 | 278.4 | 278.22458 | 5.9 | 37.3 | 301 | 0 | 1 | 2 | 13 | 20 | greater than 235 °F (NTP, 1992) | 446 °F at 17 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
TRIISOBUTYL PHOSPHATE | 000126-71-6 | 31,355 | tris(2-methylpropyl) phosphate | CC(C)COP(=O)(OCC(C)C)OCC(C)C | InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3 | HRKAMJBPFPHCSD-UHFFFAOYSA-N | C12H27O4P | 266.31 | 266.164696 | 3.5 | 44.8 | 201 | 0 | 0 | 4 | 9 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
DL-2-AMINOCAPRYLIC ACID | 000644-90-6 | 69,522 | 2-aminooctanoic acid | CCCCCCC(C(=O)O)N | InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11) | AKVBCGQVQXPRLD-UHFFFAOYSA-N | C8H17NO2 | 159.23 | 159.125929 | -0.5 | 63.3 | 115 | 0 | 2 | 3 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
L-NORLEUCINE | 000327-57-1 | 21,236 | (2S)-2-aminohexanoic acid | CCCC[C@@H](C(=O)O)N | InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 | LRQKBLKVPFOOQJ-YFKPBYRVSA-N | C6H13NO2 | 131.17 | 131.094629 | -1.5 | 63.3 | 93 | 0 | 2 | 3 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
L-A-AMINO-N-BUTYRIC ACID | 001492-24-6 | 80,283 | (2S)-2-aminobutanoic acid | CC[C@@H](C(=O)O)N | InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 | QWCKQJZIFLGMSD-VKHMYHEASA-N | C4H9NO2 | 103.12 | 103.063329 | -2.5 | 63.3 | 72 | 0 | 2 | 3 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
N-A-ACETYL-L-ARGININE | 000155-84-0 | 67,427 | (2S)-2-acetamido-5-(diaminomethylideneamino)pentanoic acid | CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O | InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1 | SNEIUMQYRCDYCH-LURJTMIESA-N | C8H16N4O3 | 216.24 | 216.12224 | -1.7 | 131 | 261 | 0 | 4 | 4 | 6 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
3-OXO-PENTANEDIOIC ACID DIMETHYL ESTER | 001830-54-2 | 74,591 | dimethyl 3-oxopentanedioate | COC(=O)CC(=O)CC(=O)OC | InChI=1S/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2H3 | RNJOKCPFLQMDEC-UHFFFAOYSA-N | C7H10O5 | 174.15 | 174.052823 | 0 | 69.7 | 176 | 0 | 0 | 5 | 6 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
2-((3-HYDROXY-2,2-BIS(((1-OXO-2-PROPENYL)OXY)METHYL0PROPOXY)METHYL)-2-(((1-OXO-2-PROPENYL)OXY)METHYL)-1,3-PROPANEDIYL ESTER 2-PROPENOIC ACID | 060506-81-2 | 108,956 | [2-(hydroxymethyl)-3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]propyl] prop-2-enoate | C=CC(=O)OCC(CO)(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)COC(=O)C=C | InChI=1S/C25H32O12/c1-6-19(27)33-14-24(11-26,15-34-20(28)7-2)12-32-13-25(16-35-21(29)8-3,17-36-22(30)9-4)18-37-23(31)10-5/h6-10,26H,1-5,11-18H2 | INXWLSDYDXPENO-UHFFFAOYSA-N | C25H32O12 | 524.5 | 524.189377 | 2 | 161 | 789 | 0 | 1 | 12 | 25 | 37 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
ETHYLENEDIAMINETETRAACETIC ACID DISODIUM NICKEL SALT | 011079-07-5 | 149,739 | disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;nickel(2+) | C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Ni+2] | InChI=1S/C10H16N2O8.2Na.Ni/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;2*+1;+2/p-4 | AOBXSTDXJGPLRC-UHFFFAOYSA-J | C10H12N2Na2NiO8 | 392.88 | 391.974246 | null | 167 | 293 | 0 | 0 | 10 | 7 | 23 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
POLY(DIMETHYLSILOXANE), MONOMETHACRYLOXYPROPYL TERMINATED | 146632-07-7 | 121,233,057 | 3-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate | CC(=C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)OC | InChI=1S/C12H26O4Si2/c1-11(2)12(13)15-9-8-10-17(4,5)16-18(6,7)14-3/h1,8-10H2,2-7H3 | XKRNOHIEWSINLH-UHFFFAOYSA-N | C12H26O4Si2 | 290.5 | 290.136962 | null | 44.8 | 300 | 0 | 0 | 4 | 9 | 18 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
2-(METHACRYLOYLOXYETHYL)-2'-((TRIMETHYLAMMONIUM)ETHYL)PHOSPHATE | 067881-98-5 | 128,934 | 2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate | CC(=C)C(=O)OCCOP(=O)([O-])OCC[N+](C)(C)C | InChI=1S/C11H22NO6P/c1-10(2)11(13)16-8-9-18-19(14,15)17-7-6-12(3,4)5/h1,6-9H2,2-5H3 | ZSZRUEAFVQITHH-UHFFFAOYSA-N | C11H22NO6P | 295.27 | 295.118474 | -0.2 | 84.9 | 354 | 0 | 0 | 6 | 10 | 19 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
(2,2'-AZOBIS(2-METHYL-N-(2-HYDROXYETHYL)PROPIONAMIDE)) | 061551-69-7 | 381,605 | N-(2-hydroxyethyl)-2-[[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide | CC(C)(C(=O)NCCO)N=NC(C)(C)C(=O)NCCO | InChI=1S/C12H24N4O4/c1-11(2,9(19)13-5-7-17)15-16-12(3,4)10(20)14-6-8-18/h17-18H,5-8H2,1-4H3,(H,13,19)(H,14,20) | WVFLGSMUPMVNTQ-UHFFFAOYSA-N | C12H24N4O4 | 288.34 | 288.179755 | -0.9 | 123 | 332 | 0 | 4 | 6 | 8 | 20 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
DIVINYL ADIPATE (STABILIZED WITH MEHQ) | 004074-90-2 | 19,997 | bis(ethenyl) hexanedioate | C=COC(=O)CCCCC(=O)OC=C | InChI=1S/C10H14O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-4H,1-2,5-8H2 | JZQAAQZDDMEFGZ-UHFFFAOYSA-N | C10H14O4 | 198.22 | 198.089209 | 1.6 | 52.6 | 196 | 0 | 0 | 4 | 9 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
SILICIC ACID (H4SIO4), TETRAKIS(2-ETHYLBUTYL) ESTER | 000078-13-7 | 6,520 | tetrakis(2-ethylbutyl) silicate | CCC(CC)CO[Si](OCC(CC)CC)(OCC(CC)CC)OCC(CC)CC | InChI=1S/C24H52O4Si/c1-9-21(10-2)17-25-29(26-18-22(11-3)12-4,27-19-23(13-5)14-6)28-20-24(15-7)16-8/h21-24H,9-20H2,1-8H3 | SWQWONXMUXCEDF-UHFFFAOYSA-N | C24H52O4Si | 432.8 | 432.363487 | null | 36.9 | 281 | 0 | 0 | 4 | 20 | 29 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
HEXANOIC ACID, 2-ETHYL-, ETHENYL ESTER | 000094-04-2 | 62,343 | ethenyl 2-ethylhexanoate | CCCCC(CC)C(=O)OC=C | InChI=1S/C10H18O2/c1-4-7-8-9(5-2)10(11)12-6-3/h6,9H,3-5,7-8H2,1-2H3 | IGBZOHMCHDADGY-UHFFFAOYSA-N | C10H18O2 | 170.25 | 170.13068 | 3.5 | 26.3 | 141 | 0 | 0 | 2 | 7 | 12 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 |
2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, FORMATE, (E)- | 000105-86-2 | 5,282,109 | [(2E)-3,7-dimethylocta-2,6-dienyl] formate | CC(=CCC/C(=C/COC=O)/C)C | InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+ | FQMZVFJYMPNUCT-YRNVUSSQSA-N | C11H18O2 | 182.26 | 182.13068 | 3.5 | 26.3 | 198 | 0 | 0 | 2 | 6 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
3,7-DIMETHYL-7-HYDROXY-1-OCTANAL, | 000107-75-5 | 7,888 | 7-hydroxy-3,7-dimethyloctanal | CC(CCCC(C)(C)O)CC=O | InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3 | WPFVBOQKRVRMJB-UHFFFAOYSA-N | C10H20O2 | 172.26 | 172.14633 | 1.6 | 37.3 | 130 | 0 | 1 | 2 | 6 | 12 | null | 241.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
7-OCTEN-1-OL, 3,7-DIMETHYL-, FORMATE | 000141-09-3 | 61,092 | 3,7-dimethyloct-7-enyl formate | CC(CCCC(=C)C)CCOC=O | InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h9,11H,1,4-8H2,2-3H3 | VMBKZHMLQXCNCP-UHFFFAOYSA-N | C11H20O2 | 184.27 | 184.14633 | 4.1 | 26.3 | 152 | 0 | 0 | 2 | 8 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
9-UNDECENAL, 2,6,10-TRIMETHYL- | 000141-13-9 | 98,403 | 2,6,10-trimethylundec-9-enal | CC(CCCC(C)C=O)CCC=C(C)C | InChI=1S/C14H26O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h7,11,13-14H,5-6,8-10H2,1-4H3 | UEGBWDUVDAKUGA-UHFFFAOYSA-N | C14H26O | 210.36 | 210.198365 | 5 | 17.1 | 190 | 0 | 0 | 1 | 8 | 15 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
L-LEUCINE, METHYL ESTER | 002666-93-5 | 65,105 | methyl (2S)-2-amino-4-methylpentanoate | CC(C)C[C@@H](C(=O)OC)N | InChI=1S/C7H15NO2/c1-5(2)4-6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t6-/m0/s1 | QVDXUKJJGUSGLS-LURJTMIESA-N | C7H15NO2 | 145.2 | 145.110279 | 0.9 | 52.3 | 112 | 0 | 1 | 3 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
2,4-NONADIENAL, (E,E)- | 005910-87-2 | 5,283,339 | (2E,4E)-nona-2,4-dienal | CCCC/C=C/C=C/C=O | InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+ | ZHHYXNZJDGDGPJ-BSWSSELBSA-N | C9H14O | 138.21 | 138.104465 | 2.7 | 17.1 | 123 | 0 | 0 | 1 | 5 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
2,4-NONADIENAL | 006750-03-4 | 23,203 | nona-2,4-dienal | CCCCC=CC=CC=O | InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3 | ZHHYXNZJDGDGPJ-UHFFFAOYSA-N | C9H14O | 138.21 | 138.104465 | 2.7 | 17.1 | 123 | 0 | 0 | 1 | 5 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
BUTANOIC ACID, 2,4-DIAMINO-, DIHYDROCHLORIDE | 006970-28-1 | 470 | 2,4-diaminobutanoic acid | C(CN)C(C(=O)O)N | InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8) | OGNSCSPNOLGXSM-UHFFFAOYSA-N | C4H10N2O2 | 118.13 | 118.074228 | -4.6 | 89.3 | 84 | 0 | 3 | 4 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
1-PROPENE, 3-(METHYLTHIO)- | 010152-76-8 | 66,282 | 3-methylsulfanylprop-1-ene | CSCC=C | InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3 | NVLPQIPTCCLBEU-UHFFFAOYSA-N | C4H8S | 88.17 | 88.034671 | 1.5 | 25.3 | 24 | 0 | 0 | 1 | 2 | 5 | null | 92.00 to 93.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
2-OCTYNOIC ACID, ETHYL ESTER | 010519-20-7 | 66,338 | ethyl oct-2-ynoate | CCCCCC#CC(=O)OCC | InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-7H2,1-2H3 | QPMDWYXUSMRVKT-UHFFFAOYSA-N | C10H16O2 | 168.23 | 168.11503 | 3.5 | 26.3 | 183 | 0 | 0 | 2 | 5 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
ETHANAMINIUM, N-ETHYL-N,N-DIMETHYL-2-[(2-METHYL-1-OXO-2-PROPENYL)OXY]-, ETHYL | 013223-03-5 | 83,244 | ethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;ethyl sulfate | CC[N+](C)(C)CCOC(=O)C(=C)C.CCOS(=O)(=O)[O-] | InChI=1S/C10H20NO2.C2H6O4S/c1-6-11(4,5)7-8-13-10(12)9(2)3;1-2-6-7(3,4)5/h2,6-8H2,1,3-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1 | QUUVXPUXYIWGHA-UHFFFAOYSA-M | C12H25NO6S | 311.4 | 311.140259 | null | 101 | 301 | 0 | 0 | 6 | 7 | 20 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
2-NONYNE, 1,1-DIMETHOXY- | 013257-44-8 | 25,812 | 1,1-dimethoxynon-2-yne | CCCCCCC#CC(OC)OC | InChI=1S/C11H20O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-8H2,1-3H3 | RPJGIPAAHSGBEZ-UHFFFAOYSA-N | C11H20O2 | 184.27 | 184.14633 | 3.3 | 18.5 | 159 | 0 | 0 | 2 | 6 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
2,3-HEXANEDIONE, 5-METHYL- | 013706-86-0 | 26,204 | 5-methylhexane-2,3-dione | CC(C)CC(=O)C(=O)C | InChI=1S/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3 | PQCLJXVUAWLNSV-UHFFFAOYSA-N | C7H12O2 | 128.17 | 128.08373 | 0.9 | 34.1 | 125 | 0 | 0 | 2 | 3 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
9-OCTADECENOIC ACID (Z)-, COBALT SALT | 014666-94-5 | 6,440,850 | cobalt(2+);(Z)-octadec-9-enoic acid | CCCCCCCC/C=C\CCCCCCCC(=O)O.[Co+2] | InChI=1S/C18H34O2.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+2/b10-9-; | IWNMVERPBFAOPL-KVVVOXFISA-N | C18H34CoO2+2 | 341.4 | 341.189074 | null | 37.3 | 234 | 2 | 1 | 2 | 15 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
1,2-ETHANEDIAMINE, PHOSPHATE | 014852-17-6 | 161,093 | ethane-1,2-diamine;phosphoric acid | C(CN)N.OP(=O)(O)O | InChI=1S/C2H8N2.H3O4P/c3-1-2-4;1-5(2,3)4/h1-4H2;(H3,1,2,3,4) | ZSFDBVJMDCMTBM-UHFFFAOYSA-N | C2H11N2O4P | 158.09 | 158.045644 | null | 130 | 55 | 0 | 5 | 6 | 1 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
ETHANESULFONYL FLUORIDE, 2-[1-[DIFLUORO[(TRIFLUOROETHENYL)OXY]METHYL]-1,2,2,2- | 016090-14-5 | 85,958 | 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonyl fluoride | C(=C(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)F)(F)F)F)(F)F)F | InChI=1S/C7F14O4S/c8-1(9)2(10)24-5(15,16)3(11,4(12,13)14)25-6(17,18)7(19,20)26(21,22)23 | KTCQQCLZUOZFEI-UHFFFAOYSA-N | C7F14O4S | 446.12 | 445.929374 | 4.7 | 61 | 656 | 0 | 0 | 18 | 7 | 26 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 |
PHOSPHONIC ACID, [3-[(HYDROXYMETHYL)AMINO]-3-OXOPROPYL]-, DIMETHYL ESTER | 020120-33-6 | 29,959 | 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide | COP(=O)(CCC(=O)NCO)OC | InChI=1S/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9) | MCONGYNHPPCHSD-UHFFFAOYSA-N | C6H14NO5P | 211.15 | 211.06096 | -1.9 | 84.9 | 199 | 0 | 2 | 5 | 6 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
5-OCTEN-1-OL, 6-ETHYL-3-METHYL- | 026330-64-3 | 117,305 | 6-ethyl-3-methyloct-5-en-1-ol | CCC(=CCC(C)CCO)CC | InChI=1S/C11H22O/c1-4-11(5-2)7-6-10(3)8-9-12/h7,10,12H,4-6,8-9H2,1-3H3 | XSFCJNDQFKISFC-UHFFFAOYSA-N | C11H22O | 170.29 | 170.167065 | 3.5 | 20.2 | 121 | 0 | 1 | 1 | 6 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
6-OCTEN-1-OL, 6-ETHYL-3-METHYL- | 026330-65-4 | 117,306 | 6-ethyl-3-methyloct-6-en-1-ol | CCC(=CC)CCC(C)CCO | InChI=1S/C11H22O/c1-4-11(5-2)7-6-10(3)8-9-12/h4,10,12H,5-9H2,1-3H3 | GTLKSTALFRGBQG-UHFFFAOYSA-N | C11H22O | 170.29 | 170.167065 | 3.6 | 20.2 | 127 | 0 | 1 | 1 | 6 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
FORMIC ACID, CHROMIUM(3+) SALT | 027115-36-2 | 117,932 | chromium(3+) triformate | C(=O)[O-].C(=O)[O-].C(=O)[O-].[Cr+3] | InChI=1S/3CH2O2.Cr/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3 | QOWZHEWZFLTYQP-UHFFFAOYSA-K | C3H3CrO6 | 187.05 | 186.933468 | null | 120 | 7 | 0 | 0 | 6 | 0 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
2-PROPENOIC ACID, 3-[2,2-DIMETHYL-1-OXO-3-[(1-OXO-2-PROPENYL)OXY]PROPOXY]-2,2- | 030145-51-8 | 121,642 | (2,2-dimethyl-3-prop-2-enoyloxypropyl) 2,2-dimethyl-3-prop-2-enoyloxypropanoate | CC(C)(COC(=O)C=C)COC(=O)C(C)(C)COC(=O)C=C | InChI=1S/C16H24O6/c1-7-12(17)20-9-15(3,4)10-22-14(19)16(5,6)11-21-13(18)8-2/h7-8H,1-2,9-11H2,3-6H3 | ICCCRCJXHNMZPJ-UHFFFAOYSA-N | C16H24O6 | 312.36 | 312.157289 | 3.1 | 78.9 | 448 | 0 | 0 | 6 | 12 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
6-METHOXY-2,6-DIMETHYL-HEPTANAL | 062439-41-2 | 112,491 | 6-methoxy-2,6-dimethylheptanal | CC(CCCC(C)(C)OC)C=O | InChI=1S/C10H20O2/c1-9(8-11)6-5-7-10(2,3)12-4/h8-9H,5-7H2,1-4H3 | QMXBURPYNWBMJR-UHFFFAOYSA-N | C10H20O2 | 172.26 | 172.14633 | 1.8 | 26.3 | 130 | 0 | 0 | 2 | 6 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
ZINC, HYDROXY(2-METHYL-2-PROPENOATO-O)- | 063451-47-8 | 113,239 | 2-methylprop-2-enoic acid;zinc;hydrate | CC(=C)C(=O)O.O.[Zn] | InChI=1S/C4H6O2.H2O.Zn/c1-3(2)4(5)6;;/h1H2,2H3,(H,5,6);1H2; | CJSCLERRDWRJGA-UHFFFAOYSA-N | C4H8O3Zn | 169.5 | 167.976486 | null | 38.3 | 89 | 0 | 2 | 3 | 1 | 8 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
.BETA.-ALANINE, N-(2-HYDROXYETHYL)-N-[2-[(1-OXOOCTYL)AMINO]ETHYL]- | 064265-45-8 | 116,569 | 3-[2-hydroxyethyl-[2-(octanoylamino)ethyl]amino]propanoic acid | CCCCCCCC(=O)NCCN(CCC(=O)O)CCO | InChI=1S/C15H30N2O4/c1-2-3-4-5-6-7-14(19)16-9-11-17(12-13-18)10-8-15(20)21/h18H,2-13H2,1H3,(H,16,19)(H,20,21) | OKFFNIVTSMRGQI-UHFFFAOYSA-N | C15H30N2O4 | 302.41 | 302.220557 | -0.9 | 89.9 | 285 | 0 | 3 | 5 | 14 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
2-PROPANOL, 1-(TERT-DODECYLTHIO)- | 067124-09-8 | 106,704 | 1-(9,9-dimethyldecylsulfanyl)propan-2-ol | CC(CSCCCCCCCCC(C)(C)C)O | InChI=1S/C15H32OS/c1-14(16)13-17-12-10-8-6-5-7-9-11-15(2,3)4/h14,16H,5-13H2,1-4H3 | XROXSXGRRMHJFJ-UHFFFAOYSA-N | C15H32OS | 260.5 | 260.217387 | 5.8 | 45.5 | 163 | 0 | 1 | 2 | 11 | 17 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
2-PROPENOIC ACID, 2-[METHYL[(NONAFLUOROBUTYL)SULFONYL]AMINO]ETHYL ESTER | 067584-55-8 | 105,447 | 2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl prop-2-enoate | CN(CCOC(=O)C=C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F | InChI=1S/C10H10F9NO4S/c1-3-6(21)24-5-4-20(2)25(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17/h3H,1,4-5H2,2H3 | KEMCLRGAIUJRAN-UHFFFAOYSA-N | C10H10F9NO4S | 411.24 | 411.018682 | 3.2 | 72.1 | 609 | 0 | 0 | 14 | 9 | 25 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
2-PROPENOIC ACID, 2-METHYL-, 2-[METHYL[(NONAFLUOROBUTYL)SULFONYL]AMINO]ETHYL E | 067584-59-2 | 105,452 | 2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl 2-methylprop-2-enoate | CC(=C)C(=O)OCCN(C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F | InChI=1S/C11H12F9NO4S/c1-6(2)7(22)25-5-4-21(3)26(23,24)11(19,20)9(14,15)8(12,13)10(16,17)18/h1,4-5H2,2-3H3 | BEIWUHUHJDEMQO-UHFFFAOYSA-N | C11H12F9NO4S | 425.27 | 425.034333 | 3.6 | 72.1 | 652 | 0 | 0 | 14 | 9 | 26 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
1-PROPENE, 3-[2-(2-METHOXYPROPOXY)PROPOXY]- | 068039-31-6 | 107,063 | 2-(2-methoxypropoxy)-1-prop-2-enoxypropane | CC(COCC=C)OCC(C)OC | InChI=1S/C10H20O3/c1-5-6-12-7-10(3)13-8-9(2)11-4/h5,9-10H,1,6-8H2,2-4H3 | ZSHQZORCSTVWLF-UHFFFAOYSA-N | C10H20O3 | 188.26 | 188.141245 | 1.3 | 27.7 | 125 | 0 | 0 | 3 | 8 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
3-UNDECEN-2-ONE, 10-HYDROXY-3,6,10-TRIMETHYL- | 068141-19-5 | 109,185 | 10-hydroxy-3,6,10-trimethylundec-3-en-2-one | CC(CCCC(C)(C)O)CC=C(C)C(=O)C | InChI=1S/C14H26O2/c1-11(7-6-10-14(4,5)16)8-9-12(2)13(3)15/h9,11,16H,6-8,10H2,1-5H3 | ZYZZYMDGACMDKZ-UHFFFAOYSA-N | C14H26O2 | 226.35 | 226.19328 | 3 | 37.3 | 251 | 0 | 1 | 2 | 7 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
BUTANEDIOIC ACID, [(DIPROPOXYPHOSPHINOTHIOYL)THIO]-, DIBUTYL ESTER | 068413-47-8 | 109,346 | dibutyl 2-dipropoxyphosphinothioylsulfanylbutanedioate | CCCCOC(=O)CC(C(=O)OCCCC)SP(=S)(OCCC)OCCC | InChI=1S/C18H35O6PS2/c1-5-9-13-21-17(19)15-16(18(20)22-14-10-6-2)27-25(26,23-11-7-3)24-12-8-4/h16H,5-15H2,1-4H3 | HSVNXSQHXKNAOX-UHFFFAOYSA-N | C18H35O6PS2 | 442.6 | 442.161268 | 5.9 | 128 | 449 | 0 | 0 | 8 | 19 | 27 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
BUTANEDIOIC ACID, [[BIS[(2-ETHYLHEXYL)OXY]PHOSPHINOTHIOYL]THIO]-, DIBUTYL ESTE | 068413-48-9 | 109,347 | dibutyl 2-[bis(2-ethylhexoxy)phosphinothioylsulfanyl]butanedioate | CCCCC(CC)COP(=S)(OCC(CC)CCCC)SC(CC(=O)OCCCC)C(=O)OCCCC | InChI=1S/C28H55O6PS2/c1-7-13-17-24(11-5)22-33-35(36,34-23-25(12-6)18-14-8-2)37-26(28(30)32-20-16-10-4)21-27(29)31-19-15-9-3/h24-26H,7-23H2,1-6H3 | DHEMFBSSQAFTOU-UHFFFAOYSA-N | C28H55O6PS2 | 582.8 | 582.317769 | 10.2 | 128 | 610 | 0 | 0 | 8 | 27 | 37 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
5-OCTEN-4-ONE, 2,7-DIMETHYL- | 068419-46-5 | 1,738,173 | (E)-2,7-dimethyloct-5-en-4-one | CC(C)CC(=O)/C=C/C(C)C | InChI=1S/C10H18O/c1-8(2)5-6-10(11)7-9(3)4/h5-6,8-9H,7H2,1-4H3/b6-5+ | CZOUKEVZSCNCAE-AATRIKPKSA-N | C10H18O | 154.25 | 154.135765 | 2.8 | 17.1 | 143 | 0 | 0 | 1 | 4 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
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