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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2-PROPANOL, 1-CHLORO-3-(1-METHYLETHOXY)- | 004288-84-0 | 94,290 | 1-chloro-3-propan-2-yloxypropan-2-ol | CC(C)OCC(CCl)O | InChI=1S/C6H13ClO2/c1-5(2)9-4-6(8)3-7/h5-6,8H,3-4H2,1-2H3 | GQPJSBQMFFGZAU-UHFFFAOYSA-N | C6H13ClO2 | 152.62 | 152.060407 | 0.9 | 29.5 | 66 | 0 | 1 | 2 | 4 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
HEXANAMIDE, N-HYDROXY- | 004312-93-0 | 78,005 | N-hydroxyhexanamide | CCCCCC(=O)NO | InChI=1S/C6H13NO2/c1-2-3-4-5-6(8)7-9/h9H,2-5H2,1H3,(H,7,8) | FWPKDESKJMMUSR-UHFFFAOYSA-N | C6H13NO2 | 131.17 | 131.094629 | 1 | 49.3 | 83 | 0 | 2 | 2 | 4 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
L-GLUTAMIC ACID, COMPD. WITH L-ARGININE (1:1) | 004320-30-3 | 165,268 | (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-aminopentanedioic acid | C(C[C@@H](C(=O)O)N)CN=C(N)N.C(CC(=O)O)[C@@H](C(=O)O)N | InChI=1S/C6H14N4O2.C5H9NO4/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t4-;3-/m00/s1 | RVEWUBJVAHOGKA-WOYAITHZSA-N | C11H23N5O6 | 321.33 | 321.164834 | null | 228 | 321 | 0 | 7 | 9 | 9 | 22 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-HEXENE-2,5-DIONE | 004436-75-3 | 13,177 | hex-3-ene-2,5-dione | CC(=O)C=CC(=O)C | InChI=1S/C6H8O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3 | OTSKZNVDZOOHRX-UHFFFAOYSA-N | C6H8O2 | 112.13 | 112.05243 | -0.1 | 34.1 | 117 | 0 | 0 | 2 | 2 | 8 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
OCTANOIC ACID, BARIUM SALT | 004696-54-2 | 20,822 | barium(2+);bis(octanoate) | CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ba+2] | InChI=1S/2C8H16O2.Ba/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2 | PJUKKJYOSBWEQO-UHFFFAOYSA-L | C16H30BaO4 | 423.7 | 424.119656 | null | 80.3 | 83 | 0 | 0 | 4 | 10 | 21 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DODECANOIC ACID, BARIUM SALT | 004696-57-5 | 62,548 | barium(2+);bis(dodecanoate) | CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Ba+2] | InChI=1S/2C12H24O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2 | RYTAZQLUNUCPFQ-UHFFFAOYSA-L | C24H46BaO4 | 535.9 | 536.244857 | null | 80.3 | 127 | 0 | 0 | 4 | 18 | 29 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BUTANOIC ACID, 2-CHLORO-3-OXO-, METHYL ESTER | 004755-81-1 | 107,332 | methyl 2-chloro-3-oxobutanoate | CC(=O)C(C(=O)OC)Cl | InChI=1S/C5H7ClO3/c1-3(7)4(6)5(8)9-2/h4H,1-2H3 | GYQRIAVRKLRQKP-UHFFFAOYSA-N | C5H7ClO3 | 150.56 | 150.008372 | 0.7 | 43.4 | 132 | 0 | 0 | 3 | 3 | 9 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PROPANENITRILE, 3-(PHOSPHONOOXY)-, BARIUM SALT (1:1) | 005015-38-3 | 78,714 | barium(2+);2-cyanoethyl phosphate | C(COP(=O)([O-])[O-])C#N.[Ba+2] | InChI=1S/C3H6NO4P.Ba/c4-2-1-3-8-9(5,6)7;/h1,3H2,(H2,5,6,7);/q;+2/p-2 | MRQIDZJGQMWVQR-UHFFFAOYSA-L | C3H4BaNO4P | 286.37 | 286.893042 | null | 96.2 | 152 | 0 | 0 | 5 | 2 | 10 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-HEPTANONE, OXIME | 005314-31-8 | 5,354,128 | (NE)-N-heptan-2-ylidenehydroxylamine | CCCCC/C(=N/O)/C | InChI=1S/C7H15NO/c1-3-4-5-6-7(2)8-9/h9H,3-6H2,1-2H3/b8-7+ | NGTGENGUUCHSLQ-BQYQJAHWSA-N | C7H15NO | 129.2 | 129.115364 | 2.1 | 32.6 | 88 | 0 | 1 | 2 | 4 | 9 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
PROPANENITRILE, 3-(DIETHYLAMINO)- | 005351-04-2 | 79,306 | 3-(diethylamino)propanenitrile | CCN(CC)CCC#N | InChI=1S/C7H14N2/c1-3-9(4-2)7-5-6-8/h3-5,7H2,1-2H3 | LFFKXGFSDGRFQA-UHFFFAOYSA-N | C7H14N2 | 126.2 | 126.115699 | 0.7 | 27 | 96 | 0 | 0 | 2 | 4 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
HEPTADECANENITRILE | 005399-02-0 | 79,388 | heptadecanenitrile | CCCCCCCCCCCCCCCCC#N | InChI=1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-16H2,1H3 | ZXPWFWWSCFIFII-UHFFFAOYSA-N | C17H33N | 251.5 | 251.2613 | 7.5 | 23.8 | 189 | 0 | 0 | 1 | 14 | 18 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPANEDINITRILE, (1-ETHOXYETHYLIDENE)- | 005417-82-3 | 79,450 | 2-(1-ethoxyethylidene)propanedinitrile | CCOC(=C(C#N)C#N)C | InChI=1S/C7H8N2O/c1-3-10-6(2)7(4-8)5-9/h3H2,1-2H3 | BOSVWXDDFBSSIZ-UHFFFAOYSA-N | C7H8N2O | 136.15 | 136.063663 | 0.9 | 56.8 | 217 | 0 | 0 | 3 | 2 | 10 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
D-MANNOSE, 2-AMINO-2-DEOXY-, HYDROCHLORIDE | 005505-63-5 | 9,899,264 | (2S,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride | C([C@H]([C@H]([C@@H]([C@@H](C=O)N)O)O)O)O.Cl | InChI=1S/C6H13NO5.ClH/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H/t3-,4-,5-,6-;/m1./s1 | CBOJBBMQJBVCMW-MVNLRXSJSA-N | C6H14ClNO5 | 215.63 | 215.05605 | null | 124 | 142 | 0 | 6 | 6 | 5 | 13 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
1,2-ETHANEDIAMINE, DIHYDRIODIDE | 005700-49-2 | 21,921 | ethane-1,2-diamine;dihydroiodide | C(CN)N.I.I | InChI=1S/C2H8N2.2HI/c3-1-2-4;;/h1-4H2;2*1H | IWNWLPUNKAYUAW-UHFFFAOYSA-N | C2H10I2N2 | 315.92 | 315.89334 | null | 52 | 6 | 0 | 4 | 2 | 1 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TETRASULFIDE, DIMETHYL | 005756-24-1 | 79,828 | (methyltetrasulfanyl)methane | CSSSSC | InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3 | NPNIZCVKXVRCHF-UHFFFAOYSA-N | C2H6S4 | 158.3 | 157.935235 | 1.8 | 101 | 17 | 0 | 0 | 4 | 3 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
HEXANAMIDE, N,N-DIMETHYL- | 005830-30-8 | 22,084 | N,N-dimethylhexanamide | CCCCCC(=O)N(C)C | InChI=1S/C8H17NO/c1-4-5-6-7-8(10)9(2)3/h4-7H2,1-3H3 | OAERLTPBKQBWHJ-UHFFFAOYSA-N | C8H17NO | 143.23 | 143.131014 | 1.6 | 20.3 | 99 | 0 | 0 | 1 | 4 | 10 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ETHANOL, 2-MERCAPTO-, 1-ACETATE | 005862-40-8 | 98,505 | 2-sulfanylethyl acetate | CC(=O)OCCS | InChI=1S/C4H8O2S/c1-4(5)6-2-3-7/h7H,2-3H2,1H3 | YDLAHBBJAGGIJZ-UHFFFAOYSA-N | C4H8O2S | 120.17 | 120.024501 | 0.4 | 27.3 | 62 | 0 | 1 | 3 | 3 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
5,7-OCTADIEN-2-OL, 2,6-DIMETHYL- | 005986-38-9 | 22,303 | 2,6-dimethylocta-5,7-dien-2-ol | CC(=CCCC(C)(C)O)C=C | InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,7,11H,1,6,8H2,2-4H3 | IJFKZRMIRAVXRK-UHFFFAOYSA-N | C10H18O | 154.25 | 154.135765 | 2.9 | 20.2 | 154 | 0 | 1 | 1 | 4 | 11 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester | 006294-34-4 | 80,518 | 1-chloro-2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyethane | C(CCl)OP(=O)(CCCl)OCCCl | InChI=1S/C6H12Cl3O3P/c7-1-4-11-13(10,6-3-9)12-5-2-8/h1-6H2 | XXIDKSWYSYEFAG-UHFFFAOYSA-N | C6H12Cl3O3P | 269.5 | 267.958964 | 1.2 | 35.5 | 155 | 0 | 0 | 3 | 8 | 13 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 |
OCTANOIC ACID, HYDRAZIDE | 006304-39-8 | 80,556 | octanehydrazide | CCCCCCCC(=O)NN | InChI=1S/C8H18N2O/c1-2-3-4-5-6-7-8(11)10-9/h2-7,9H2,1H3,(H,10,11) | VMUZVGRNTPFTKE-UHFFFAOYSA-N | C8H18N2O | 158.24 | 158.141913 | 1 | 55.1 | 104 | 0 | 2 | 2 | 6 | 11 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
PHOSPHONIC ACID, (1-HYDROXYETHYLIDENE)BIS-, DISODIUM SALT | 007414-83-7 | 23,894 | disodium;hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate | CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+] | InChI=1S/C2H8O7P2.2Na/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2 | GWBBVOVXJZATQQ-UHFFFAOYSA-L | C2H6Na2O7P2 | 249.99 | 249.938415 | null | 141 | 206 | 0 | 3 | 7 | 2 | 13 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
5,8,11,14-Eicosatetraenoic acid | 007771-44-0 | 5,312,542 | (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid | CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O | InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,16-15+ | YZXBAPSDXZZRGB-CGRWFSSPSA-N | C20H32O2 | 304.5 | 304.24023 | 6.3 | 37.3 | 362 | 0 | 1 | 2 | 14 | 22 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TUNGSTATE (WO42-), BARIUM (1:1), (T-4)- | 007787-42-0 | 165,643 | barium(2+);dioxido(dioxo)tungsten | [O-][W](=O)(=O)[O-].[Ba+2] | InChI=1S/Ba.4O.W/q+2;;;2*-1; | SJPVUFMOBDBTHQ-UHFFFAOYSA-N | BaO4W | 385.16 | 385.835839 | null | 80.3 | 62 | 0 | 0 | 4 | 0 | 6 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ANTIMONY TRIBROMIDE | 007789-61-9 | 24,615 | tribromostibane | Br[Sb](Br)Br | InChI=1S/3BrH.Sb/h3*1H;/q;;;+3/p-3 | RPJGYLSSECYURW-UHFFFAOYSA-K | Br3Sb | 361.47 | 359.65677 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | 536 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
STIBINE, TRIIODO- | 007790-44-5 | 24,630 | triiodostibane | [Sb](I)(I)I | InChI=1S/3HI.Sb/h3*1H;/q;;;+3/p-3 | KWQLUUQBTAXYCB-UHFFFAOYSA-K | I3Sb | 502.473 | 501.6172 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | 400 °C | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-PROPANAMINE, 2-METHYL-, HYDROCHLORIDE | 010017-37-5 | 82,292 | 2-methylpropan-2-amine;hydrochloride | CC(C)(C)N.Cl | InChI=1S/C4H11N.ClH/c1-4(2,3)5;/h5H2,1-3H3;1H | DLDIDQIZPBIVNQ-UHFFFAOYSA-N | C4H12ClN | 109.6 | 109.065827 | null | 26 | 25 | 0 | 2 | 1 | 0 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ETHANEDIOIC ACID, POTASSIUM SALT | 010043-22-8 | 159,253 | potassium oxalate | C(=O)(C(=O)[O-])[O-].[K+] | InChI=1S/C2H2O4.K/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-2 | JMTCDHVHZSGGJA-UHFFFAOYSA-L | C2KO4- | 127.12 | 126.943365 | null | 80.3 | 60 | -1 | 0 | 4 | 0 | 7 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SULFURIC ACID, IRON SALT | 010124-49-9 | 105,075 | iron;sulfuric acid | OS(=O)(=O)O.[Fe] | InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4) | MVZXTUSAYBWAAM-UHFFFAOYSA-N | FeH2O4S | 153.93 | 153.902315 | null | 83 | 81 | 0 | 2 | 4 | 0 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ACETIC ACID, MERCAPTO-, 1,4-BUTANEDIYL ESTER | 010193-95-0 | 25,040 | 4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate | C(CCOC(=O)CS)COC(=O)CS | InChI=1S/C8H14O4S2/c9-7(5-13)11-3-1-2-4-12-8(10)6-14/h13-14H,1-6H2 | IPNDIMIIGZSERC-UHFFFAOYSA-N | C8H14O4S2 | 238.3 | 238.033351 | 1.4 | 54.6 | 164 | 0 | 2 | 6 | 9 | 14 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ACETIC ACID, MERCAPTO-, 2-ETHYL-2-[[(MERCAPTOACETYL)OXY]METHYL]-1,3-PROPANEDIY | 010193-96-1 | 82,439 | 2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate | CCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS | InChI=1S/C12H20O6S3/c1-2-12(6-16-9(13)3-19,7-17-10(14)4-20)8-18-11(15)5-21/h19-21H,2-8H2,1H3 | KAJBSGLXSREIHP-UHFFFAOYSA-N | C12H20O6S3 | 356.5 | 356.042202 | 1.9 | 81.9 | 311 | 0 | 3 | 9 | 13 | 21 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PROPANEDIOIC ACID, (2-METHYLPROPYL)-, DIETHYL ESTER | 010203-58-4 | 25,047 | diethyl 2-(2-methylpropyl)propanedioate | CCOC(=O)C(CC(C)C)C(=O)OCC | InChI=1S/C11H20O4/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h8-9H,5-7H2,1-4H3 | OFRFGNSZCYDFOH-UHFFFAOYSA-N | C11H20O4 | 216.27 | 216.136159 | 2.6 | 52.6 | 193 | 0 | 0 | 4 | 8 | 15 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Chloric acid, magnesium salt | 010326-21-3 | 25,155 | magnesium dichlorate | [O-]Cl(=O)=O.[O-]Cl(=O)=O.[Mg+2] | InChI=1S/2ClHO3.Mg/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2 | NNNSKJSUQWKSAM-UHFFFAOYSA-L | Cl2MgO6 | 191.2 | 189.892235 | null | 114 | 36 | 0 | 0 | 6 | 0 | 9 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
HEXANENITRILE, 5-OXO- | 010412-98-3 | 82,611 | 5-oxohexanenitrile | CC(=O)CCCC#N | InChI=1S/C6H9NO/c1-6(8)4-2-3-5-7/h2-4H2,1H3 | AEVMBQIIZGKQRB-UHFFFAOYSA-N | C6H9NO | 111.14 | 111.068414 | -0.1 | 40.9 | 120 | 0 | 0 | 2 | 3 | 8 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
(Z)-9-OCTADECENOIC ACID, CADMIUM SALT | 010468-30-1 | 6,437,734 | cadmium(2+);bis((Z)-octadec-9-enoate) | CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Cd+2] | InChI=1S/2C18H34O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-; | ZTSAVNXIUHXYOY-CVBJKYQLSA-L | C36H66CdO4 | 675.3 | 676.399476 | null | 80.3 | 228 | 0 | 0 | 4 | 28 | 41 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-PROPANAMINIUM, N,N,N-TRIMETHYL-3-[(1-OXODODECYL)AMINO]-, METHYL SULFATE | 010595-49-0 | 160,947 | 3-(dodecanoylamino)propyl-trimethylazanium;methyl sulfate | CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.COS(=O)(=O)[O-] | InChI=1S/C18H38N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-15-18(21)19-16-14-17-20(2,3)4;1-5-6(2,3)4/h5-17H2,1-4H3;1H3,(H,2,3,4) | LTERAWRIKDPXBF-UHFFFAOYSA-N | C19H42N2O5S | 410.6 | 410.281444 | null | 104 | 337 | 0 | 1 | 5 | 14 | 27 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
BARIUM IRON OXIDE | 011138-11-7 | 44,151,694 | barium(2+);bis(iron(3+));tetrakis(oxygen(2-)) | [O-2].[O-2].[O-2].[O-2].[Fe+3].[Fe+3].[Ba+2] | InChI=1S/Ba.2Fe.4O/q+2;2*+3;4*-2 | RTVHKGIVFVKLDJ-UHFFFAOYSA-N | BaFe2O4 | 313.01 | 313.754777 | null | 4 | 0 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BARIUM TIN OXIDE (BASNO3) | 012009-18-6 | 165,950 | barium(2+);tris(oxygen(2-));tin(4+) | [O-2].[O-2].[O-2].[Sn+4].[Ba+2] | InChI=1S/Ba.3O.Sn/q+2;3*-2;+4 | HERMVCOJYLRNMJ-UHFFFAOYSA-N | BaO3Sn | 304.04 | 305.79219 | null | 3 | 0 | 0 | 0 | 3 | 0 | 5 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
COPPER TELLURIDE (CU2TE) | 012019-52-2 | 6,914,517 | null | [Cu].[Cu].[Te] | InChI=1S/2Cu.Te | MZEWONGNQNXVKA-UHFFFAOYSA-N | Cu2Te | 254.7 | 255.765417 | null | 0 | 2 | 0 | 0 | 0 | 0 | 3 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
GERMANIUM TELLURIDE (GETE) | 012025-39-7 | 16,213,264 | tellanylidenegermanium | [Ge]=[Te] | InChI=1S/GeTe/c1-2 | JBQYATWDVHIOAR-UHFFFAOYSA-N | GeTe | 200.2 | 203.827401 | null | 0 | 2 | 0 | 0 | 0 | 0 | 2 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ANTIMONY, COMPD. WITH MANGANESE (1:1) | 012032-82-5 | 6,335,265 | antimony;manganese(3+) | [Mn+3].[Sb] | InChI=1S/Mn.Sb/q+3; | RAVWSVJGRNETBE-UHFFFAOYSA-N | MnSb+3 | 176.698 | 175.84185 | null | 0 | 0 | 3 | 0 | 0 | 0 | 2 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
MANGANESE TELLURIDE (MNTE) | 012032-88-1 | 82,828 | tellanylidenemanganese | [Mn]=[Te] | InChI=1S/Mn.Te | VMINMXIEZOMBRH-UHFFFAOYSA-N | MnTe | 182.5 | 184.844266 | null | 0 | 2 | 0 | 0 | 0 | 0 | 2 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ANTIMONY, COMPD. WITH CHROMIUM (1:1) | 012053-12-2 | 6,335,272 | antimony;chromium(3+) | [Cr+3].[Sb] | InChI=1S/Cr.Sb/q+3; | BUNMATGODDVOLM-UHFFFAOYSA-N | CrSb+3 | 173.756 | 172.84432 | null | 0 | 0 | 3 | 0 | 0 | 0 | 2 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
CHROMIUM TELLURIDE (CR2TE3) | 012053-39-3 | 6,381,587 | null | [Cr]=[Te].[Cr]=[Te].[Te] | InChI=1S/2Cr.3Te | PDJHBRMODJKXLQ-UHFFFAOYSA-N | Cr2Te3 | 486.8 | 491.597916 | null | 0 | 6 | 0 | 0 | 0 | 0 | 5 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
CADMIUM ZIRCONIUM OXIDE (CDZRO3) | 012139-23-0 | 166,629 | cadmium(2+);tris(oxygen(2-));zirconium(4+) | [O-2].[O-2].[O-2].[Zr+4].[Cd+2] | InChI=1S/Cd.3O.Zr/q+2;3*-2;+4 | SJRPZAHQHJSRQC-UHFFFAOYSA-N | CdO3Zr | 251.63 | 251.792808 | null | 3 | 0 | 0 | 0 | 3 | 0 | 5 | null | null | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
CADMIUM CHLORIDE PHOSPHATE (CD5CL(PO4)3) | 012185-64-7 | 166,654 | bis(cadmium(2+));chloride;phosphate | [O-]P(=O)([O-])[O-].[Cl-].[Cd+2].[Cd+2] | InChI=1S/2Cd.ClH.H3O4P/c;;;1-5(2,3)4/h;;1H;(H3,1,2,3,4)/q2*+2;;/p-4 | VGEXYTFIPOXGDH-UHFFFAOYSA-J | Cd2ClO4P | 355.25 | 355.728402 | null | 86.3 | 36 | 0 | 0 | 5 | 0 | 8 | null | null | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Gold, ((1,2-dicarboxyethyl)thio)-, disodium salt | 012244-57-4 | 22,318 | disodium;gold(1+);2-sulfidobutanedioate | C(C(C(=O)[O-])[S-])C(=O)[O-].[Na+].[Na+].[Au+] | InChI=1S/C4H6O4S.Au.2Na/c5-3(6)1-2(9)4(7)8;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;/q;3*+1/p-3 | VXIHRIQNJCRFQX-UHFFFAOYSA-K | C4H3AuNa2O4S | 390.08 | 389.921313 | null | 81.3 | 126 | 0 | 0 | 5 | 1 | 12 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
ALUMINUM, COMPD. WITH BARIUM (4:1) | 012253-23-5 | 6,337,003 | null | [Al].[Al].[Al].[Al].[Ba] | InChI=1S/4Al.Ba | CNMLKYRHFLUEAL-UHFFFAOYSA-N | Al4Ba | 245.25 | 245.831401 | null | 0 | 0 | 0 | 0 | 0 | 0 | 5 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
NIOBATE (NBO31-), BARIUM SODIUM (5:2:1) | 012323-03-4 | 166,687 | sodium;barium(2+);niobium(5+);tetrakis(oxygen(2-)) | [O-2].[O-2].[O-2].[O-2].[Na+].[Nb+5].[Ba+2] | InChI=1S/Ba.Na.Nb.4O/q+2;+1;+5;4*-2 | OZJLXXSXDXTZAP-UHFFFAOYSA-N | BaNaNbO4 | 317.22 | 317.78105 | null | 4 | 0 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-HEXENEDINITRILE | 013042-02-9 | 94,345 | hex-2-enedinitrile | C(CC#N)C=CC#N | InChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1,3H,2,4H2 | ZQOHAQBXINVHHC-UHFFFAOYSA-N | C6H6N2 | 106.13 | 106.053098 | 0.4 | 47.6 | 161 | 0 | 0 | 2 | 2 | 8 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DECANOIC ACID, 3-OXO-, ETHYL ESTER | 013195-66-9 | 83,224 | ethyl 3-oxodecanoate | CCCCCCCC(=O)CC(=O)OCC | InChI=1S/C12H22O3/c1-3-5-6-7-8-9-11(13)10-12(14)15-4-2/h3-10H2,1-2H3 | YZKPCVHTRBTTAX-UHFFFAOYSA-N | C12H22O3 | 214.3 | 214.156895 | 3.3 | 43.4 | 187 | 0 | 0 | 3 | 10 | 15 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PROPENAMIDE, N-(1-METHYLUNDECYL)- | 013288-50-1 | 114,489 | N-dodecan-2-ylprop-2-enamide | CCCCCCCCCCC(C)NC(=O)C=C | InChI=1S/C15H29NO/c1-4-6-7-8-9-10-11-12-13-14(3)16-15(17)5-2/h5,14H,2,4,6-13H2,1,3H3,(H,16,17) | ACALHKQKISMQQT-UHFFFAOYSA-N | C15H29NO | 239.4 | 239.224915 | 5.6 | 29.1 | 201 | 0 | 1 | 1 | 11 | 17 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ACETIC ACID, CYANO-, 2-METHYLPROPYL ESTER | 013361-31-4 | 25,918 | 2-methylpropyl 2-cyanoacetate | CC(C)COC(=O)CC#N | InChI=1S/C7H11NO2/c1-6(2)5-10-7(9)3-4-8/h6H,3,5H2,1-2H3 | HRGQEKKNLHJZGZ-UHFFFAOYSA-N | C7H11NO2 | 141.17 | 141.078979 | 1.3 | 50.1 | 154 | 0 | 0 | 3 | 4 | 10 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TELLURIC ACID (H2TEO4), DIAMMONIUM SALT | 013453-06-0 | 61,608 | diazanium;tellurate | [NH4+].[NH4+].[O-][Te](=O)(=O)[O-] | InChI=1S/2H3N.H2O4Te/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4) | DRGYXGZFRXFMHF-UHFFFAOYSA-N | H8N2O4Te | 227.7 | 229.95463 | null | 82.3 | 62 | 0 | 2 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PHOSPHORIC ACID, BARIUM SALT (2:1) | 013466-20-1 | 13,726,205 | barium(2+);bis(dihydrogen phosphate) | OP(=O)(O)[O-].OP(=O)(O)[O-].[Ba+2] | InChI=1S/Ba.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2 | IOPOLWHQYJSKCT-UHFFFAOYSA-L | BaH4O8P2 | 331.3 | 331.843388 | null | 161 | 49 | 0 | 4 | 8 | 0 | 11 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPANOIC ACID, 3-(METHYLTHIO)-, METHYL ESTER | 013532-18-8 | 61,641 | methyl 3-methylsulfanylpropanoate | COC(=O)CCSC | InChI=1S/C5H10O2S/c1-7-5(6)3-4-8-2/h3-4H2,1-2H3 | DMMJVMYCBULSIS-UHFFFAOYSA-N | C5H10O2S | 134.2 | 134.040151 | 0.7 | 51.6 | 72 | 0 | 0 | 3 | 4 | 8 | null | 74.00 to 75.00 °C. @ 13.00 mm Hg | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TUNGSTATE (WO42-), DICESIUM, (T-4)- | 013587-19-4 | 166,852 | dicesium;tetrakis(oxygen(2-));tungsten | [O-2].[O-2].[O-2].[O-2].[Cs+].[Cs+].[W] | InChI=1S/2Cs.4O.W/q2*+1;4*-2; | ZYAJNDITUUBDPX-UHFFFAOYSA-N | Cs2O4W-6 | 513.65 | 513.741496 | null | 4 | 0 | -6 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PHOSPHORIC ACID, ZINC SALT (2:1) | 013598-37-3 | 159,688 | zinc diphosphate | [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Zn+2] | InChI=1S/2H3O4P.Zn/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+2/p-6 | MFXMOUUKFMDYLM-UHFFFAOYSA-H | O8P2Zn-4 | 255.3 | 253.835983 | null | 173 | 36 | -4 | 0 | 8 | 0 | 11 | null | null | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SULFURIC ACID, VANADIUM(3+) SALT (3:2) | 013701-70-7 | 166,888 | bis(vanadium);trisulfate | [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[V].[V] | InChI=1S/3H2O4S.2V/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/p-6 | OYCGXLKTCYDJNJ-UHFFFAOYSA-H | O12S3V2-6 | 390.1 | 389.743104 | null | 266 | 62 | -6 | 0 | 12 | 0 | 17 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TRIPHOSPHORIC ACID, PENTAPOTASSIUM SALT | 013845-36-8 | 61,695 | pentapotassium;[oxido(phosphonatooxy)phosphoryl] phosphate | [O-]P(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+] | InChI=1S/5K.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q5*+1;/p-5 | ATGAWOHQWWULNK-UHFFFAOYSA-I | K5O10P3 | 448.41 | 447.688965 | null | 185 | 241 | 0 | 0 | 10 | 2 | 18 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CADMIUM MOLYBDENUM OXIDE (CDMOO4) | 013972-68-4 | 159,711 | cadmium(2+);molybdenum;tetrakis(oxygen(2-)) | [O-2].[O-2].[O-2].[O-2].[Mo].[Cd+2] | InChI=1S/Cd.Mo.4O/q+2;;4*-2 | SQHWLBOPUKZGNS-UHFFFAOYSA-N | CdMoO4-6 | 272.36 | 275.788427 | null | 4 | 0 | -6 | 0 | 4 | 0 | 6 | null | null | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SULFAMIC ACID, CADMIUM SALT (2:1) | 014017-36-8 | 161,015 | cadmium;sulfamic acid | NS(=O)(=O)O.NS(=O)(=O)O.[Cd] | InChI=1S/Cd.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4) | BSMFZSLFNSAOPE-UHFFFAOYSA-N | CdH6N2O6S2 | 306.6 | 307.870093 | null | 178 | 92 | 0 | 4 | 8 | 0 | 11 | null | null | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
COPPER(2+), TETRAAMMINE-, SULFATE (1:1) | 014283-05-7 | 167,053 | copper;azane;sulfate | N.N.N.N.[O-]S(=O)(=O)[O-].[Cu+2] | InChI=1S/Cu.4H3N.H2O4S/c;;;;;1-5(2,3)4/h;4*1H3;(H2,1,2,3,4)/q+2;;;;;/p-2 | MJIHMGIXWVSFTF-UHFFFAOYSA-L | CuH12N4O4S | 227.73 | 226.987523 | null | 92.6 | 62 | 0 | 4 | 8 | 0 | 10 | null | null | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BUTANENITRILE, 4,4-DIMETHOXY- | 014618-78-1 | 84,558 | 4,4-dimethoxybutanenitrile | COC(CCC#N)OC | InChI=1S/C6H11NO2/c1-8-6(9-2)4-3-5-7/h6H,3-4H2,1-2H3 | XJHNCGVHPLDMRK-UHFFFAOYSA-N | C6H11NO2 | 129.16 | 129.078979 | 0.1 | 42.3 | 101 | 0 | 0 | 3 | 4 | 9 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
(OC-6-11)-HEXAKIS(NITRITO-O)-COBALTATE(3-), TRISODIUM | 014649-73-1 | 156,594,492 | sodium;cobalt(3+);hexanitrite | N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].[Na+].[Co+3] | InChI=1S/Co.6HNO2.Na/c;6*2-1-3;/h;6*(H,2,3);/q+3;;;;;;;+1/p-6 | NIMVRRMBPCJMPR-UHFFFAOYSA-H | CoN6NaO12-2 | 357.96 | 357.880382 | null | 315 | 114 | -2 | 0 | 18 | 0 | 20 | null | null | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
1,2-ETHANEDIOL, TITANIUM(4+) SALT (4:1) | 014764-55-7 | 167,162 | tetrakis(ethane-1,2-diolate);titanium(4+) | C(C[O-])[O-].C(C[O-])[O-].C(C[O-])[O-].C(C[O-])[O-].[Ti+4] | InChI=1S/4C2H4O2.Ti/c4*3-1-2-4;/h4*1-2H2;/q4*-2;+4 | CRXZEAIWSODJDG-UHFFFAOYSA-N | C8H16O8Ti-4 | 288.07 | 288.032458 | null | 184 | 6 | -4 | 0 | 8 | 4 | 17 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ALUMINUM TUNGSTEN OXIDE (AL2W3O12) | 015123-82-7 | 167,248 | dialuminum;nonakis(oxygen(2-));tungsten | [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Al+3].[Al+3].[W].[W] | InChI=1S/2Al.9O.2W/q2*+3;9*-2;; | BWALTLDSULABKR-UHFFFAOYSA-N | Al2O9W2-12 | 565.6 | 567.82261 | null | 9 | 0 | -12 | 0 | 9 | 0 | 13 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ACETAMIDE, 2-BROMO-2-CYANO-N,N-DIMETHYL- | 015430-62-3 | 85,841 | 2-bromo-2-cyano-N,N-dimethylacetamide | CN(C)C(=O)C(C#N)Br | InChI=1S/C5H7BrN2O/c1-8(2)5(9)4(6)3-7/h4H,1-2H3 | HLAJXHYCSPHGGI-UHFFFAOYSA-N | C5H7BrN2O | 191.03 | 189.97418 | 0.5 | 44.1 | 158 | 0 | 0 | 2 | 1 | 9 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
9-OCTADECENOIC ACID, 12-HYDROXY-, MONOLITHIUM SALT, [R-(Z)]- | 015467-06-8 | 23,665,644 | lithium (Z,12R)-12-hydroxyoctadec-9-enoate | [Li+].CCCCCC[C@H](C/C=C\CCCCCCCC(=O)[O-])O | InChI=1S/C18H34O3.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;+1/p-1/b12-9-;/t17-;/m1./s1 | UWZUWNMEIDBHOF-DPMBMXLASA-M | C18H33LiO3 | 304.4 | 304.258973 | null | 60.4 | 267 | 0 | 1 | 3 | 15 | 22 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TUNGSTATE (WO66-), BARIUM CALCIUM (1:2:1), (OC-6-11)- | 015552-14-4 | 154,734,637 | calcium;bis(barium(2+));hexakis(oxygen(2-));tungsten | [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ca+2].[Ba+2].[Ba+2].[W] | InChI=1S/2Ba.Ca.6O.W/q3*+2;6*-2; | PPWVVRZJNVJBTO-UHFFFAOYSA-N | Ba2CaO6W-6 | 594.6 | 595.693506 | null | 6 | 0 | -6 | 0 | 6 | 0 | 10 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
CUPRATE(2-), TETRACHLORO-, DIAMMONIUM | 015610-76-1 | 167,315 | diazanium;tetrachlorocopper(2-) | [NH4+].[NH4+].Cl[Cu-2](Cl)(Cl)Cl | InChI=1S/4ClH.Cu.2H3N/h4*1H;;2*1H3/q;;;;+2;;/p-2 | ZGSRGICQFXEMGO-UHFFFAOYSA-L | Cl4CuH8N2 | 241.4 | 240.870806 | null | 2 | 19 | 0 | 2 | 1 | 0 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DISTANNATHIANE, DIBUTYLDITHIOXO- | 015666-29-2 | 16,684,014 | butyl-[butyl(sulfanylidene)stannanyl]sulfanyl-sulfanylidenetin | CCCC[Sn](=S)S[Sn](=S)CCCC | InChI=1S/2C4H9.3S.2Sn/c2*1-3-4-2;;;;;/h2*1,3-4H2,2H3;;;;; | XHYNAAFUENTBLP-UHFFFAOYSA-N | C8H18S3Sn2 | 447.9 | 447.86087 | null | 89.5 | 153 | 0 | 0 | 3 | 8 | 13 | null | null | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Hydrazine, 1,2-bis(dichloroacetyl)- | 016054-41-4 | 96,495 | 2,2-dichloro-N'-(2,2-dichloroacetyl)acetohydrazide | C(C(=O)NNC(=O)C(Cl)Cl)(Cl)Cl | InChI=1S/C4H4Cl4N2O2/c5-1(6)3(11)9-10-4(12)2(7)8/h1-2H,(H,9,11)(H,10,12) | WOJKJUQKPSGJCT-UHFFFAOYSA-N | C4H4Cl4N2O2 | 253.9 | 253.899738 | 1.7 | 58.2 | 164 | 0 | 2 | 2 | 2 | 12 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPANOIC ACID, 3-MERCAPTO-, BUTYL ESTER | 016215-21-7 | 85,335 | butyl 3-sulfanylpropanoate | CCCCOC(=O)CCS | InChI=1S/C7H14O2S/c1-2-3-5-9-7(8)4-6-10/h10H,2-6H2,1H3 | MGFFVSDRCRVHLC-UHFFFAOYSA-N | C7H14O2S | 162.25 | 162.071451 | 1.6 | 27.3 | 93 | 0 | 1 | 3 | 6 | 10 | null | null | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
OCTANOIC ACID, LITHIUM SALT | 016577-52-9 | 23,673,717 | lithium octanoate | [Li+].CCCCCCCC(=O)[O-] | InChI=1S/C8H16O2.Li/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1 | BTAUEIDLAAYHSL-UHFFFAOYSA-M | C8H15LiO2 | 150.2 | 150.123208 | null | 40.1 | 94 | 0 | 0 | 2 | 6 | 11 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N-[(2-METHYLPROPOXY)METHYL]-2-PROPENAMIDE | 016669-59-3 | 27,979 | N-(2-methylpropoxymethyl)prop-2-enamide | CC(C)COCNC(=O)C=C | InChI=1S/C8H15NO2/c1-4-8(10)9-6-11-5-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10) | KCTMTGOHHMRJHZ-UHFFFAOYSA-N | C8H15NO2 | 157.21 | 157.110279 | 1.4 | 38.3 | 132 | 0 | 1 | 2 | 5 | 11 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DIBUTYLAMINE, PYROPHOSPHATE (1:1) | 016687-06-2 | 85,544 | N-butylbutan-1-amine;phosphono dihydrogen phosphate | CCCCNCCCC.OP(=O)(O)OP(=O)(O)O | InChI=1S/C8H19N.H4O7P2/c1-3-5-7-9-8-6-4-2;1-8(2,3)7-9(4,5)6/h9H,3-8H2,1-2H3;(H2,1,2,3)(H2,4,5,6) | GFFBAXKJVPVOAP-UHFFFAOYSA-N | C8H23NO7P2 | 307.22 | 307.094976 | null | 136 | 185 | 0 | 5 | 8 | 8 | 18 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PLATINATE(2-), HEXABROMO-, DIPOTASSIUM, (OC-6-11)- | 016920-93-7 | 61,854 | dipotassium;hexabromoplatinum(2-) | [K+].[K+].Br[Pt-2](Br)(Br)(Br)(Br)Br | InChI=1S/6BrH.2K.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6 | LRBZJCBXMOGTCN-UHFFFAOYSA-H | Br6K2Pt | 752.7 | 752.39608 | null | 0 | 62 | 0 | 0 | 1 | 0 | 9 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PLATINATE(2-), HEXABROMO-, DIAMMONIUM, (OC-6-11)- | 017363-02-9 | 167,646 | diazanium;platinum(4+);hexabromide | [NH4+].[NH4+].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Pt+4] | InChI=1S/6BrH.2H3N.Pt/h6*1H;2*1H3;/q;;;;;;;;+4/p-4 | YLDMEZNZYLWNNL-UHFFFAOYSA-J | Br6H8N2Pt | 710.6 | 710.53742 | null | 2 | 0 | 0 | 2 | 6 | 0 | 9 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SULFURIC ACID, DICOPPER(1+) SALT | 017599-81-4 | 134,737 | bis(copper(1+));sulfate | [O-]S(=O)(=O)[O-].[Cu+].[Cu+] | InChI=1S/2Cu.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2 | WIVXEZIMDUGYRW-UHFFFAOYSA-L | Cu2O4S | 223.16 | 221.810924 | null | 88.6 | 62 | 0 | 0 | 4 | 0 | 7 | null | null | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRISULFIDE, METHYL PROPYL | 017619-36-2 | 5,319,765 | 1-(methyltrisulfanyl)propane | CCCSSSC | InChI=1S/C4H10S3/c1-3-4-6-7-5-2/h3-4H2,1-2H3 | ZOYASYRPGHCQHW-UHFFFAOYSA-N | C4H10S3 | 154.3 | 153.994464 | 2.2 | 75.9 | 30 | 0 | 0 | 3 | 4 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
UREA, (AMINOIMINOMETHYL)-, PHOSPHATE | 017675-60-4 | 87,231 | diaminomethylideneurea;phosphoric acid | C(=NC(=O)N)(N)N.OP(=O)(O)O | InChI=1S/C2H6N4O.H3O4P/c3-1(4)6-2(5)7;1-5(2,3)4/h(H6,3,4,5,6,7);(H3,1,2,3,4) | ZHURYQINAXWNAH-UHFFFAOYSA-N | C2H9N4O5P | 200.09 | 200.031056 | null | 185 | 152 | 0 | 6 | 5 | 0 | 12 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ALUMINATE(1-), DIETHYLDIHYDRO-, SODIUM, (T-4)- | 017836-88-3 | 87,331 | aluminum;sodium;ethane;hydride | [H-].[H-].C[CH2-].C[CH2-].[Na+].[Al+3] | InChI=1S/2C2H5.Al.Na.2H/c2*1-2;;;;/h2*1H2,2H3;;;;/q2*-1;+3;+1;2*-1 | IHDCPKOFXPTMDE-UHFFFAOYSA-N | C4H12AlNa | 110.11 | 110.065208 | null | 0 | 0 | 0 | 0 | 4 | 0 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
HEPTANENITRILE, 7-HYDROXY- | 017976-80-6 | 87,385 | 7-hydroxyheptanenitrile | C(CCCO)CCC#N | InChI=1S/C7H13NO/c8-6-4-2-1-3-5-7-9/h9H,1-5,7H2 | XAZAHJGDOHGFBV-UHFFFAOYSA-N | C7H13NO | 127.18 | 127.099714 | 0.8 | 44 | 92 | 0 | 1 | 2 | 5 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SILICIC ACID (H4SIO4), TETRAKIS(2-METHOXY-1-METHYLETHYL) ESTER | 018407-95-9 | 86,722 | tetrakis(1-methoxypropan-2-yl) silicate | CC(COC)O[Si](OC(C)COC)(OC(C)COC)OC(C)COC | InChI=1S/C16H36O8Si/c1-13(9-17-5)21-25(22-14(2)10-18-6,23-15(3)11-19-7)24-16(4)12-20-8/h13-16H,9-12H2,1-8H3 | DVYWNXMKZUKBRA-UHFFFAOYSA-N | C16H36O8Si | 384.54 | 384.217945 | null | 73.8 | 259 | 0 | 0 | 8 | 16 | 25 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPANE, 1,1,2,3-TETRACHLORO- | 018495-30-2 | 29,108 | 1,1,2,3-tetrachloropropane | C(C(C(Cl)Cl)Cl)Cl | InChI=1S/C3H4Cl4/c4-1-2(5)3(6)7/h2-3H,1H2 | BUQMVYQMVLAYRU-UHFFFAOYSA-N | C3H4Cl4 | 181.9 | 181.903761 | 2.8 | 0 | 44 | 0 | 0 | 0 | 2 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3-OCTEN-1-OL, (Z)- | 020125-84-2 | 5,364,519 | (Z)-oct-3-en-1-ol | CCCC/C=C\CCO | InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5- | YDXQPTHHAPCTPP-WAYWQWQTSA-N | C8H16O | 128.21 | 128.120115 | 2.4 | 20.2 | 67 | 0 | 1 | 1 | 5 | 9 | null | 73.00 °C. @ 0.50 mm Hg | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
OCTANOIC ACID, COPPER SALT | 020543-04-8 | 161,318 | copper bis(octanoate) | CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Cu+2] | InChI=1S/2C8H16O2.Cu/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2 | VNZQQAVATKSIBR-UHFFFAOYSA-L | C16H30CuO4 | 349.95 | 349.144007 | null | 80.3 | 83 | 0 | 0 | 4 | 10 | 21 | null | null | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-PROPENOIC ACID, 2-METHYL-, 3-(DIMETHYLAMINO)PROPYL ESTER | 020602-77-1 | 88,611 | 3-(dimethylamino)propyl 2-methylprop-2-enoate | CC(=C)C(=O)OCCCN(C)C | InChI=1S/C9H17NO2/c1-8(2)9(11)12-7-5-6-10(3)4/h1,5-7H2,2-4H3 | WWJCRUKUIQRCGP-UHFFFAOYSA-N | C9H17NO2 | 171.24 | 171.125929 | 2 | 29.5 | 164 | 0 | 0 | 3 | 6 | 12 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHONIC ACID, (1-HYDROXYETHYLIDENE)BIS-, DIPOTASSIUM SALT | 021089-06-5 | 88,790 | dipotassium;hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate | CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[K+].[K+] | InChI=1S/C2H8O7P2.2K/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2 | YGZBDWZUQFVAHU-UHFFFAOYSA-L | C2H6K2O7P2 | 282.21 | 281.88629 | null | 141 | 206 | 0 | 3 | 7 | 2 | 13 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
OCTADECANOIC ACID, 12-HYDROXY-, BARIUM SALT (2:1) | 021598-22-1 | 89,522 | barium(2+);bis(12-hydroxyoctadecanoate) | CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CCCCCCC(CCCCCCCCCCC(=O)[O-])O.[Ba+2] | InChI=1S/2C18H36O3.Ba/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2 | LHCFNZQTNGWZED-UHFFFAOYSA-L | C36H70BaO6 | 736.3 | 736.422487 | null | 121 | 223 | 0 | 2 | 6 | 30 | 43 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
METHANESULFONIC ACID, AMMONIUM SALT | 022515-76-0 | 11,297,950 | azanium methanesulfonate | CS(=O)(=O)[O-].[NH4+] | InChI=1S/CH4O3S.H3N/c1-5(2,3)4;/h1H3,(H,2,3,4);1H3 | QHYIGPGWXQQZSA-UHFFFAOYSA-N | CH7NO3S | 113.14 | 113.014664 | null | 66.6 | 79 | 0 | 1 | 3 | 0 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3,8,10-TRIOXA-9-STANNATETRADECA-5,12-DIEN-14-OIC ACID, 9,9-DIBUTYL-2-METHYL-4, | 022535-42-8 | 16,684,053 | 4-O-[dibutyl-[(Z)-4-oxo-4-propan-2-yloxybut-2-enoyl]oxystannyl] 1-O-propan-2-yl (Z)-but-2-enedioate | CCCC[Sn](OC(=O)/C=C\C(=O)OC(C)C)(OC(=O)/C=C\C(=O)OC(C)C)CCCC | InChI=1S/2C7H10O4.2C4H9.Sn/c2*1-5(2)11-7(10)4-3-6(8)9;2*1-3-4-2;/h2*3-5H,1-2H3,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*4-3-;;; | QWKDQXNGJACGFP-VGKOASNMSA-L | C22H36O8Sn | 547.2 | 548.143221 | null | 105 | 596 | 0 | 0 | 8 | 18 | 31 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 |
DODECANAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-, MONOACETATE | 022890-14-8 | 89,891 | acetic acid;N-[3-(dimethylamino)propyl]dodecanamide | CCCCCCCCCCCC(=O)NCCCN(C)C.CC(=O)O | InChI=1S/C17H36N2O.C2H4O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2)3;1-2(3)4/h4-16H2,1-3H3,(H,18,20);1H3,(H,3,4) | ITEOMQZUDMOKMS-UHFFFAOYSA-N | C19H40N2O3 | 344.5 | 344.303893 | null | 69.6 | 248 | 0 | 2 | 4 | 14 | 24 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
FORMAMIDE, N-(1,1-DIMETHYLPROPYL)- | 023602-10-0 | 90,208 | N-(2-methylbutan-2-yl)formamide | CCC(C)(C)NC=O | InChI=1S/C6H13NO/c1-4-6(2,3)7-5-8/h5H,4H2,1-3H3,(H,7,8) | NQHJHACNRXGUQU-UHFFFAOYSA-N | C6H13NO | 115.17 | 115.099714 | 1.1 | 29.1 | 78 | 0 | 1 | 1 | 2 | 8 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-OCTEN-3-OL, 3-METHYL- | 024089-00-7 | 32,207 | 3-methyloct-1-en-3-ol | CCCCCC(C)(C=C)O | InChI=1S/C9H18O/c1-4-6-7-8-9(3,10)5-2/h5,10H,2,4,6-8H2,1,3H3 | DRKRLMZMGTWUSQ-UHFFFAOYSA-N | C9H18O | 142.24 | 142.135765 | 2.7 | 20.2 | 98 | 0 | 1 | 1 | 5 | 10 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-OCTANESULFONAMIDE, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-N-(2-HY | 024448-09-7 | 90,507 | 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide | CN(CCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F | InChI=1S/C11H8F17NO3S/c1-29(2-3-30)33(31,32)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h30H,2-3H2,1H3 | PLGACQRCZCVKGK-UHFFFAOYSA-N | C11H8F17NO3S | 557.23 | 556.995343 | 4.7 | 66 | 813 | 0 | 1 | 21 | 10 | 33 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
OSMATE(2-), HEXABROMO-, DIAMMONIUM, (OC-6-11)- | 024598-62-7 | 168,186 | diazanium;osmium(4+);hexabromide | [NH4+].[NH4+].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Os+4] | InChI=1S/6BrH.2H3N.Os/h6*1H;2*1H3;/q;;;;;;;;+4/p-4 | ZPHFWWAVHILXPL-UHFFFAOYSA-J | Br6H8N2Os | 705.7 | 707.5341 | null | 2 | 0 | 0 | 2 | 6 | 0 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ZINC, BIS(HYDROXYMETHANESULFINATO-OS,O1)-, (T-4)- | 024887-06-7 | 159,978 | zinc hydroxymethanesulfinate | C(O)S(=O)[O-].C(O)S(=O)[O-].[Zn+2] | InChI=1S/2CH4O3S.Zn/c2*2-1-5(3)4;/h2*2H,1H2,(H,3,4);/q;;+2/p-2 | CAAIULQYGCAMCD-UHFFFAOYSA-L | C2H6O6S2Zn | 255.6 | 253.889722 | null | 159 | 36 | 0 | 2 | 8 | 0 | 11 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ACETIC ACID, MERCAPTO-, ISOOCTYL ESTER | 025103-09-7 | 34,306 | 6-methylheptyl 2-sulfanylacetate | CC(C)CCCCCOC(=O)CS | InChI=1S/C10H20O2S/c1-9(2)6-4-3-5-7-12-10(11)8-13/h9,13H,3-8H2,1-2H3 | RZBBHEJLECUBJT-UHFFFAOYSA-N | C10H20O2S | 204.33 | 204.118401 | 3.6 | 27.3 | 135 | 0 | 1 | 3 | 8 | 13 | null | 125 °C @ 17 mm Hg | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
ISOOCTANOIC ACID | 025103-52-0 | 90,716 | 6-methylheptanoic acid | CC(C)CCCCC(=O)O | InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10) | OEOIWYCWCDBOPA-UHFFFAOYSA-N | C8H16O2 | 144.21 | 144.11503 | 2.7 | 37.3 | 97 | 0 | 1 | 2 | 5 | 10 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
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