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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PHOSPHORIC ACID, BIS(2-ETHYLHEXYL) ESTER, POTASSIUM SALT | 004971-46-4 | 23,675,922 | potassium bis(2-ethylhexyl) phosphate | CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.[K+] | InChI=1S/C16H35O4P.K/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,17,18);/q;+1/p-1 | VDWRBVKXEXWMIT-UHFFFAOYSA-M | C16H34KO4P | 360.51 | 360.183178 | null | 58.6 | 265 | 0 | 0 | 4 | 14 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
NONANOIC ACID, SODIUM SALT | 014047-60-0 | 23,674,758 | sodium nonanoate | CCCCCCCCC(=O)[O-].[Na+] | InChI=1S/C9H18O2.Na/c1-2-3-4-5-6-7-8-9(10)11;/h2-8H2,1H3,(H,10,11);/q;+1/p-1 | LTOCMXUTASYUOC-UHFFFAOYSA-M | C9H17NaO2 | 180.22 | 180.112624 | null | 40.1 | 105 | 0 | 0 | 2 | 7 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PHOSPHORIC ACID, DIBUTYL ESTER, SODIUM SALT | 016298-74-1 | 23,678,411 | sodium dibutyl phosphate | CCCCOP(=O)([O-])OCCCC.[Na+] | InChI=1S/C8H19O4P.Na/c1-3-5-7-11-13(9,10)12-8-6-4-2;/h3-8H2,1-2H3,(H,9,10);/q;+1/p-1 | YEQCNBCFZFWPKX-UHFFFAOYSA-M | C8H18NaO4P | 232.19 | 232.08404 | null | 58.6 | 151 | 0 | 0 | 4 | 8 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
MONO-2-(METHACRYLOYLOXY)ETHYL SUCCINATE | 020882-04-6 | 88,720 | 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid | CC(=C)C(=O)OCCOC(=O)CCC(=O)O | InChI=1S/C10H14O6/c1-7(2)10(14)16-6-5-15-9(13)4-3-8(11)12/h1,3-6H2,2H3,(H,11,12) | ZEWLHMQYEZXSBH-UHFFFAOYSA-N | C10H14O6 | 230.21 | 230.079038 | 0.4 | 89.9 | 294 | 0 | 1 | 6 | 9 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-PHOSPHONO-.OMEGA.-(OCTYLOXY)- | 031800-88-1 | 61,900 | 2-octoxyethyl dihydrogen phosphate | CCCCCCCCOCCOP(=O)(O)O | InChI=1S/C10H23O5P/c1-2-3-4-5-6-7-8-14-9-10-15-16(11,12)13/h2-10H2,1H3,(H2,11,12,13) | LAMZJBOHVLFABB-UHFFFAOYSA-N | C10H23O5P | 254.26 | 254.128311 | 1.7 | 76 | 192 | 0 | 2 | 5 | 11 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CALCIUM MAGNESIUM OXIDE | 037247-91-9 | 161,939 | calcium;magnesium;bis(oxygen(2-)) | [O-2].[O-2].[Mg+2].[Ca+2] | InChI=1S/Ca.Mg.2O/q2*+2;2*-2 | YLUIKWVQCKSMCF-UHFFFAOYSA-N | CaMgO2 | 96.38 | 95.937462 | null | 2 | 0 | 0 | 0 | 2 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
10-UNDECENAMIDE, N,N-BIS(2-HYDROXYETHYL)- | 060239-68-1 | 108,909 | N,N-bis(2-hydroxyethyl)undec-10-enamide | C=CCCCCCCCCC(=O)N(CCO)CCO | InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-15(19)16(11-13-17)12-14-18/h2,17-18H,1,3-14H2 | NGENVFQAIKEQNS-UHFFFAOYSA-N | C15H29NO3 | 271.4 | 271.214744 | 2.5 | 60.8 | 225 | 0 | 2 | 3 | 13 | 19 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
5-OCTEN-1-OL, (Z)- | 064275-73-6 | 5,352,837 | (Z)-oct-5-en-1-ol | CC/C=C\CCCCO | InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h3-4,9H,2,5-8H2,1H3/b4-3- | VDHRTASWKDTLER-ARJAWSKDSA-N | C8H16O | 128.21 | 128.120115 | 2 | 20.2 | 67 | 0 | 1 | 1 | 5 | 9 | null | 95.00 °C. @ 25.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-OCTADECANOL, PHOSPHATE, POTASSIUM SALT | 068987-29-1 | 20,511,704 | dipotassium;octadecyl phosphate | CCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].[K+].[K+] | InChI=1S/C18H39O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;;/h2-18H2,1H3,(H2,19,20,21);;/q;2*+1/p-2 | BWIIMRFKCNBWEH-UHFFFAOYSA-L | C18H37K2O4P | 426.7 | 426.17036 | null | 72.4 | 267 | 0 | 0 | 4 | 17 | 25 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Aluminum Calcium Iron Oxide | 012068-35-8 | 44,149,294 | aluminum;dicalcium;iron(3+);pentakis(oxygen(2-)) | [O-2].[O-2].[O-2].[O-2].[O-2].[Al+3].[Ca+2].[Ca+2].[Fe+3] | InChI=1S/Al.2Ca.Fe.5O/q+3;2*+2;+3;5*-2 | AGWMJKGGLUJAPB-UHFFFAOYSA-N | AlCa2FeO5 | 242.98 | 242.816229 | null | 5 | 0 | 0 | 0 | 5 | 0 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
VINYL OXIMINOSILANE | 002224-33-1 | 75,211 | N-[bis[(butan-2-ylideneamino)oxy]-ethenylsilyl]oxybutan-2-imine | CCC(=NO[Si](C=C)(ON=C(C)CC)ON=C(C)CC)C | InChI=1S/C14H27N3O3Si/c1-8-12(5)15-18-21(11-4,19-16-13(6)9-2)20-17-14(7)10-3/h11H,4,8-10H2,1-3,5-7H3 | WXWYJCSIHQKADM-UHFFFAOYSA-N | C14H27N3O3Si | 313.47 | 313.182168 | null | 64.8 | 365 | 0 | 0 | 6 | 10 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 |
ZINC BIS(O,O-DIISOOCTYL PHOSPHORODITHIOATO-S,S) | 028629-66-5 | 22,494,421 | zinc bis(bis(6-methylheptoxy)-sulfanylidene-sulfido-lambda5-phosphane) | CC(C)CCCCCOP(=S)(OCCCCCC(C)C)[S-].CC(C)CCCCCOP(=S)(OCCCCCC(C)C)[S-].[Zn+2] | InChI=1S/2C16H35O2PS2.Zn/c2*1-15(2)11-7-5-9-13-17-19(20,21)18-14-10-6-8-12-16(3)4;/h2*15-16H,5-14H2,1-4H3,(H,20,21);/q;;+2/p-2 | SXYOAESUCSYJNZ-UHFFFAOYSA-L | C32H68O4P2S4Zn | 772.5 | 770.276711 | null | 103 | 251 | 0 | 0 | 8 | 28 | 43 | 320 °F (min), open cup | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
POTASSIUM SILICATE | 001312-76-1 | 15,778,988 | dipotassium;oxido-[oxido(oxo)silyl]oxy-oxosilane | [O-][Si](=O)O[Si](=O)[O-].[K+].[K+] | InChI=1S/2K.O5Si2/c;;1-6(2)5-7(3)4/q2*+1;-2 | QQUPHDGGHUDUKR-UHFFFAOYSA-N | K2O5Si2 | 214.36 | 213.855839 | null | 89.5 | 71 | 0 | 0 | 5 | 0 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SULFAMIC ACID | 005329-14-6 | 5,987 | sulfamic acid | NS(=O)(=O)O | InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4) | IIACRCGMVDHOTQ-UHFFFAOYSA-N | H3NO3S | 97.1 | 96.983364 | -1.6 | 88.8 | 92 | 0 | 2 | 4 | 0 | 5 | null | DECOMP @ BOILING POINT | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CETYL BROMIDE | 000112-82-3 | 8,213 | 1-bromohexadecane | CCCCCCCCCCCCCCCCBr | InChI=1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3 | HNTGIJLWHDPAFN-UHFFFAOYSA-N | C16H33Br | 305.34 | 304.17656 | 9.2 | 0 | 123 | 0 | 0 | 0 | 14 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,1,1,2-TETRACHLORO-2,2-DIFLUOROETHANE | 000076-11-9 | 6,426 | 1,1,1,2-tetrachloro-2,2-difluoroethane | C(C(Cl)(Cl)Cl)(F)(F)Cl | InChI=1S/C2Cl4F2/c3-1(4,5)2(6,7)8 | SLGOCMATMKJJCE-UHFFFAOYSA-N | C2Cl4F2 | 203.8 | 203.869267 | 3.4 | 0 | 84 | 0 | 0 | 2 | 0 | 8 | null | 197 °F at 760 mmHg (NIOSH, 2024) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DIBUTYL SEBACATE | 000109-43-3 | 7,986 | dibutyl decanedioate | CCCCOC(=O)CCCCCCCCC(=O)OCCCC | InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3 | PYGXAGIECVVIOZ-UHFFFAOYSA-N | C18H34O4 | 314.5 | 314.24571 | 5.3 | 52.6 | 248 | 0 | 0 | 4 | 17 | 22 | 353 °F (178 °C) (OPEN CUP) | 344.5 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ERBIUM CHLORIDE | 010138-41-7 | 66,277 | trichloroerbium | Cl[Er](Cl)Cl | InChI=1S/3ClH.Er/h3*1H;/q;;;+3/p-3 | HDGGAKOVUDZYES-UHFFFAOYSA-K | Cl3Er | 273.61 | 270.836859 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ERUCIC ACID | 000112-86-7 | 5,281,116 | (Z)-docos-13-enoic acid | CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O | InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9- | DPUOLQHDNGRHBS-KTKRTIGZSA-N | C22H42O2 | 338.6 | 338.318481 | 8.7 | 37.3 | 284 | 0 | 1 | 2 | 19 | 24 | null | 265 °C at 15 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
MANGANESE OXIDE | 001317-35-7 | 90,479,253 | manganese(2+);bis(manganese(3+));tetrakis(oxygen(2-)) | [O-2].[O-2].[O-2].[O-2].[Mn+2].[Mn+3].[Mn+3] | InChI=1S/3Mn.4O/q+2;2*+3;4*-2 | ZWXOQTHCXRZUJP-UHFFFAOYSA-N | Mn3O4 | 228.812 | 228.793788 | null | 4 | 0 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 |
NIOBIUM(V) OXIDE | 001313-96-8 | 9,903,420 | bis(niobium(5+));pentakis(oxygen(2-)) | [O-2].[O-2].[O-2].[O-2].[O-2].[Nb+5].[Nb+5] | InChI=1S/2Nb.5O/q2*+5;5*-2 | URLJKFSTXLNXLG-UHFFFAOYSA-N | Nb2O5 | 265.81 | 265.78732 | null | 5 | 0 | 0 | 0 | 5 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
STRONTIUM FLUORIDE | 007783-48-4 | 82,210 | strontium difluoride | [F-].[F-].[Sr+2] | InChI=1S/2FH.Sr/h2*1H;/q;;+2/p-2 | FVRNDBHWWSPNOM-UHFFFAOYSA-L | F2Sr | 125.62 | 125.902419 | null | 0 | 0 | 0 | 0 | 2 | 0 | 3 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SPERMINE TETRAHYDROCHLORIDE | 000306-67-2 | 9,384 | N,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride | C(CCNCCCN)CNCCCN.Cl.Cl.Cl.Cl | InChI=1S/C10H26N4.4ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;;;/h13-14H,1-12H2;4*1H | XLDKUDAXZWHPFH-UHFFFAOYSA-N | C10H30Cl4N4 | 348.2 | 348.119508 | null | 76.1 | 86 | 0 | 8 | 4 | 11 | 18 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2,3-DIAMINOPROPIONIC ACID MONOHYDROCHLORIDE | 054897-59-5 | 108,638 | 2,3-diaminopropanoic acid;hydrochloride | C(C(C(=O)O)N)N.Cl | InChI=1S/C3H8N2O2.ClH/c4-1-2(5)3(6)7;/h2H,1,4-5H2,(H,6,7);1H | SKWCZPYWFRTSDD-UHFFFAOYSA-N | C3H9ClN2O2 | 140.57 | 140.035255 | null | 89.3 | 73 | 0 | 4 | 4 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ALUMINUM NITRIDE | 024304-00-5 | 90,455 | azanylidynealumane | N#[Al] | InChI=1S/Al.N | PIGFYZPCRLYGLF-UHFFFAOYSA-N | AlN | 40.988 | 40.984612 | null | 23.8 | 10 | 0 | 0 | 1 | 0 | 2 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
TRICOSANOIC ACID | 002433-96-7 | 17,085 | tricosanoic acid | CCCCCCCCCCCCCCCCCCCCCCC(=O)O | InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25) | XEZVDURJDFGERA-UHFFFAOYSA-N | C23H46O2 | 354.6 | 354.349781 | 10.2 | 37.3 | 263 | 0 | 1 | 2 | 21 | 25 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
6-AMINOHEXANOIC ACID | 000060-32-2 | 564 | 6-aminohexanoic acid | C(CCC(=O)O)CCN | InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9) | SLXKOJJOQWFEFD-UHFFFAOYSA-N | C6H13NO2 | 131.17 | 131.094629 | -3 | 63.3 | 83 | 0 | 2 | 3 | 5 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-AMINOETHYLPHOSPHONIC ACID | 006323-97-3 | 97,709 | 1-aminoethylphosphonic acid | CC(N)P(=O)(O)O | InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6) | UIQSKEDQPSEGAU-UHFFFAOYSA-N | C2H8NO3P | 125.06 | 125.02418 | -4.3 | 83.6 | 97 | 0 | 3 | 4 | 1 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DIIRON PHOSPHIDE | 001310-43-6 | 71,311,066 | null | P(#[Fe])=[Fe] | InChI=1S/2Fe.P | GNTCPDPNMAMZFW-UHFFFAOYSA-N | Fe2P | 142.66 | 142.843633 | null | 0 | 40 | 0 | 0 | 0 | 0 | 3 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
OCTADECYL ISOTHIOCYANATE | 002877-26-1 | 76,140 | 1-isothiocyanatooctadecane | CCCCCCCCCCCCCCCCCCN=C=S | InChI=1S/C19H37NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3 | VJIRSSFEIRFISD-UHFFFAOYSA-N | C19H37NS | 311.6 | 311.264671 | 10.4 | 44.5 | 234 | 0 | 0 | 2 | 17 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
NEODYMIUM BROMIDE | 013536-80-6 | 83,564 | tribromoneodymium | Br[Nd](Br)Br | InChI=1S/3BrH.Nd/h3*1H;/q;;;+3/p-3 | LBWLQVSRPJHLEY-UHFFFAOYSA-K | Br3Nd | 383.95 | 380.66069 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DL-METHIONINE SULFOXIDE | 000454-41-1 | 847 | 2-amino-4-methylsulfinylbutanoic acid | CS(=O)CCC(C(=O)O)N | InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) | QEFRNWWLZKMPFJ-UHFFFAOYSA-N | C5H11NO3S | 165.21 | 165.045964 | -4.1 | 99.6 | 148 | 0 | 2 | 5 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
LITHIUM MOLYBDATE | 013568-40-6 | 6,093,689 | dilithium;dioxido(dioxo)molybdenum | [Li+].[Li+].[O-][Mo](=O)(=O)[O-] | InChI=1S/2Li.Mo.4O/q2*+1;;;;2*-1 | NMHMDUCCVHOJQI-UHFFFAOYSA-N | Li2MoO4 | 173.9 | 175.917069 | null | 80.3 | 62 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BISMUTH SULFIDE | 001345-07-9 | 160,976 | dibismuth;trisulfide | [S-2].[S-2].[S-2].[Bi+3].[Bi+3] | InChI=1S/2Bi.3S/q2*+3;3*-2 | YNRGZHRFBQOYPP-UHFFFAOYSA-N | Bi2S3 | 514.2 | 513.87701 | null | 3 | 0 | 0 | 0 | 3 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-CHLORO-3-IODOPROPANE | 006940-76-7 | 81,363 | 1-chloro-3-iodopropane | C(CCl)CI | InChI=1S/C3H6ClI/c4-2-1-3-5/h1-3H2 | SFOYQZYQTQDRIY-UHFFFAOYSA-N | C3H6ClI | 204.44 | 203.92028 | 2.3 | 0 | 16 | 0 | 0 | 0 | 2 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
11-BROMOUNDECANOL | 001611-56-9 | 74,163 | 11-bromoundecan-1-ol | C(CCCCCO)CCCCCBr | InChI=1S/C11H23BrO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2 | XFGANBYCJWQYBI-UHFFFAOYSA-N | C11H23BrO | 251.2 | 250.09323 | 5.2 | 20.2 | 86 | 0 | 1 | 1 | 10 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
12-BROMODODECANOIC ACID | 073367-80-3 | 175,468 | 12-bromododecanoic acid | C(CCCCCC(=O)O)CCCCCBr | InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15) | YYKBWYBUCFHYPR-UHFFFAOYSA-N | C12H23BrO2 | 279.21 | 278.08814 | 5 | 37.3 | 149 | 0 | 1 | 2 | 11 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-METHYLGLUTARIC ACID | 000626-51-7 | 12,284 | 3-methylpentanedioic acid | CC(CC(=O)O)CC(=O)O | InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10) | XJMMNTGIMDZPMU-UHFFFAOYSA-N | C6H10O4 | 146.14 | 146.057909 | 0.1 | 74.6 | 125 | 0 | 2 | 4 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
THULIUM CHLORIDE | 013537-18-3 | 61,643 | trichlorothulium | Cl[Tm](Cl)Cl | InChI=1S/3ClH.Tm/h3*1H;/q;;;+3/p-3 | ILOTUXNTERMOJL-UHFFFAOYSA-K | Cl3Tm | 275.29 | 273.840777 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PHOSPHOENOLPYRUVIC ACID, TRISODIUM SALT HYDRATE | 005541-93-5 | 79,673 | trisodium;2-phosphonatooxyprop-2-enoate | C=C(C(=O)[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+] | InChI=1S/C3H5O6P.3Na/c1-2(3(4)5)9-10(6,7)8;;;/h1H2,(H,4,5)(H2,6,7,8);;;/q;3*+1/p-3 | RJUFBDMHZGRGMA-UHFFFAOYSA-K | C3H2Na3O6P | 233.99 | 233.928208 | null | 113 | 184 | 0 | 0 | 6 | 1 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ZINC 2,4 PENTANEDIONATE | 014024-63-6 | 25,022,293 | zinc bis(pentane-2,4-dione) | CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Zn+2] | InChI=1S/2C5H7O2.Zn/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2 | NHXVNEDMKGDNPR-UHFFFAOYSA-N | C10H14O4Zn | 263.6 | 262.018351 | null | 68.3 | 196 | 0 | 0 | 6 | 0 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
HENEICOSANOIC ACID | 002363-71-5 | 16,898 | henicosanoic acid | CCCCCCCCCCCCCCCCCCCCC(=O)O | InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23) | CKDDRHZIAZRDBW-UHFFFAOYSA-N | C21H42O2 | 326.6 | 326.318481 | 9.1 | 37.3 | 238 | 0 | 1 | 2 | 19 | 23 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DOCOSANE | 000629-97-0 | 12,405 | docosane | CCCCCCCCCCCCCCCCCCCCCC | InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3 | HOWGUJZVBDQJKV-UHFFFAOYSA-N | C22H46 | 310.6 | 310.359952 | 11.5 | 0 | 153 | 0 | 0 | 0 | 19 | 22 | 113 °C (235 °F) - closed cup | 695.5 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,3-DIAMINO-2-HYDROXYPROPANE, N,N,N',N'-TETRAACETIC ACID | 003148-72-9 | 18,465 | 2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid | C(C(CN(CC(=O)O)CC(=O)O)O)N(CC(=O)O)CC(=O)O | InChI=1S/C11H18N2O9/c14-7(1-12(3-8(15)16)4-9(17)18)2-13(5-10(19)20)6-11(21)22/h7,14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22) | WYMDDFRYORANCC-UHFFFAOYSA-N | C11H18N2O9 | 322.27 | 322.10123 | -6.5 | 176 | 356 | 0 | 5 | 11 | 12 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-AMINOETHYLPHOSPHONIC ACID | 002041-14-7 | 339 | 2-aminoethylphosphonic acid | C(CP(=O)(O)O)N | InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) | QQVDJLLNRSOCEL-UHFFFAOYSA-N | C2H8NO3P | 125.06 | 125.02418 | -4.8 | 83.6 | 86 | 0 | 3 | 4 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
NIOBIUM(II) OXIDE | 012034-57-0 | 82,838 | oxoniobium | O=[Nb] | InChI=1S/Nb.O | BFRGSJVXBIWTCF-UHFFFAOYSA-N | NbO | 108.906 | 108.90129 | null | 17.1 | 2 | 0 | 0 | 1 | 0 | 2 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-BROMOUNDECANE | 000693-67-4 | 12,744 | 1-bromoundecane | CCCCCCCCCCCBr | InChI=1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3 | IKPSIIAXIDAQLG-UHFFFAOYSA-N | C11H23Br | 235.2 | 234.09831 | 6.5 | 0 | 71 | 0 | 0 | 0 | 9 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
METHANEBORONIC ACID | 013061-96-6 | 139,377 | methylboronic acid | B(C)(O)O | InChI=1S/CH5BO2/c1-2(3)4/h3-4H,1H3 | KTMKRRPZPWUYKK-UHFFFAOYSA-N | CH5BO2 | 59.86 | 60.03826 | null | 40.5 | 13 | 0 | 2 | 2 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
HEXADECAFLUOROHEPTANE | 000335-57-9 | 9,553 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane | C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F | InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23 | LGUZHRODIJCVOC-UHFFFAOYSA-N | C7F16 | 388.05 | 387.974451 | 5.8 | 0 | 394 | 0 | 0 | 16 | 4 | 23 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PERFLUOROOCTANE | 000307-34-6 | 9,387 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane | C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F | InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26 | YVBBRRALBYAZBM-UHFFFAOYSA-N | C8F18 | 438.06 | 437.971257 | 6.5 | 0 | 468 | 0 | 0 | 18 | 5 | 26 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,9-NONANEDIOL | 003937-56-2 | 19,835 | nonane-1,9-diol | C(CCCCO)CCCCO | InChI=1S/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2 | ALVZNPYWJMLXKV-UHFFFAOYSA-N | C9H20O2 | 160.25 | 160.14633 | 2.2 | 40.5 | 56 | 0 | 2 | 2 | 8 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,2,4-BUTANETRIOL | 003068-00-6 | 18,302 | butane-1,2,4-triol | C(CO)C(CO)O | InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2 | ARXKVVRQIIOZGF-UHFFFAOYSA-N | C4H10O3 | 106.12 | 106.062994 | -1.4 | 60.7 | 37 | 0 | 3 | 3 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TIGLIC ACID | 000080-59-1 | 125,468 | (E)-2-methylbut-2-enoic acid | C/C=C(\C)/C(=O)O | InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+ | UIERETOOQGIECD-ONEGZZNKSA-N | C5H8O2 | 100.12 | 100.05243 | 1 | 37.3 | 103 | 0 | 1 | 2 | 1 | 7 | null | 198.5 °C at 760 mm Hg, 95.0-96 °C at 11.5 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ALUMINUM AMMONIUM SULFATE DODECAHYDRATE | 007784-26-1 | 62,668 | aluminum;azanium;disulfate;dodecahydrate | [NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3] | InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3 | WZUKKIPWIPZMAS-UHFFFAOYSA-K | AlH28NO20S2 | 453.3 | 453.046148 | null | 190 | 62 | 0 | 13 | 20 | 0 | 24 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
HOLMIUM CHLORIDE, HEXAHYDRATE | 014914-84-2 | 16,211,475 | trichloroholmium;hexahydrate | O.O.O.O.O.O.Cl[Ho](Cl)Cl | InChI=1S/3ClH.Ho.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3 | BUQFCXABQYNXLP-UHFFFAOYSA-K | Cl3H12HoO6 | 379.38 | 377.900275 | null | 6 | 8 | 0 | 6 | 6 | 0 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1H,1H,2H,2H-PERFLUORO OCTYLTRIETHOXYSILANE | 051851-37-7 | 103,991 | triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane | CCO[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC)OCC | InChI=1S/C14H19F13O3Si/c1-4-28-31(29-5-2,30-6-3)8-7-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h4-8H2,1-3H3 | AVYKQOAMZCAHRG-UHFFFAOYSA-N | C14H19F13O3Si | 510.36 | 510.089587 | null | 27.7 | 563 | 0 | 0 | 16 | 13 | 31 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TETRAAMINEPALLADIUM(II) CHLORIDE MONOHYDRATE | 013933-31-8 | 16,211,504 | azane;dichloropalladium;hydrate | N.N.N.N.O.Cl[Pd]Cl | InChI=1S/2ClH.4H3N.H2O.Pd/h2*1H;4*1H3;1H2;/q;;;;;;;+2/p-2 | WVCXSPJPERKPJS-UHFFFAOYSA-L | Cl2H14N4OPd | 263.46 | 261.95795 | null | 5 | 2 | 0 | 5 | 5 | 0 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-(TRIMETHOXYSILYL)PROPYL METHACRYLATE | 002530-85-0 | 17,318 | 3-trimethoxysilylpropyl 2-methylprop-2-enoate | CC(=C)C(=O)OCCC[Si](OC)(OC)OC | InChI=1S/C10H20O5Si/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5/h1,6-8H2,2-5H3 | XDLMVUHYZWKMMD-UHFFFAOYSA-N | C10H20O5Si | 248.35 | 248.108 | null | 54 | 229 | 0 | 0 | 5 | 9 | 16 | 92 °C (198 °F) (closed cup) | 190 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DL-NORLEUCINE | 000616-06-8 | 9,475 | 2-aminohexanoic acid | CCCCC(C(=O)O)N | InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9) | LRQKBLKVPFOOQJ-UHFFFAOYSA-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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
YTTERBIUM HEXAFLUOROACETYLACETONATE DIHYDRATE | 081849-60-7 | 74,765,547 | bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;dihydrate | C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.O.O.[Yb] | InChI=1S/2C5H2F6O2.2H2O.Yb/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h2*1,12H;2*1H2; | MHHPBTBQHUHFDW-UHFFFAOYSA-N | C10H8F12O6Yb | 625.19 | 625.951794 | null | 76.6 | 234 | 0 | 4 | 18 | 2 | 29 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N-OCTYL CYANIDE | 002243-27-8 | 16,715 | nonanenitrile | CCCCCCCCC#N | InChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3 | PLZZPPHAMDJOSR-UHFFFAOYSA-N | C9H17N | 139.24 | 139.1361 | 3.1 | 23.8 | 98 | 0 | 0 | 1 | 6 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
OMEGA-BROMODECANOIC ACID | 050530-12-6 | 142,712 | 10-bromodecanoic acid | C(CCCCC(=O)O)CCCCBr | InChI=1S/C10H19BrO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9H2,(H,12,13) | PGVRSPIEZYGOAD-UHFFFAOYSA-N | C10H19BrO2 | 251.16 | 250.05684 | 4 | 37.3 | 126 | 0 | 1 | 2 | 9 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ACETYL-DL-CARNITINE HCL | 002504-11-2 | 197,763 | (2-acetyloxy-3-carboxypropyl)-trimethylazanium chloride | CC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-] | InChI=1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H | JATPLOXBFFRHDN-UHFFFAOYSA-N | C9H18ClNO4 | 239.69 | 239.092436 | null | 63.6 | 219 | 0 | 1 | 5 | 6 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
D-(-)-ERYTHROSE | 000583-50-6 | 94,176 | (2R,3R)-2,3,4-trihydroxybutanal | C([C@H]([C@H](C=O)O)O)O | InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2/t3-,4+/m0/s1 | YTBSYETUWUMLBZ-IUYQGCFVSA-N | C4H8O4 | 120.1 | 120.042259 | -2.2 | 77.8 | 72 | 0 | 3 | 4 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
CERIUM IODIDE | 007790-87-6 | 123,265 | triiodocerium | I[Ce](I)I | InChI=1S/Ce.3HI/h;3*1H/q+3;;;/p-3 | ZEDZJUDTPVFRNB-UHFFFAOYSA-K | CeI3 | 520.829 | 520.6189 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TETRABUTYLAMMONIUM TRIFLUOROMETHANESULFONATE | 035895-70-6 | 2,733,306 | tetrabutylazanium;trifluoromethanesulfonate | CCCC[N+](CCCC)(CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[O-] | InChI=1S/C16H36N.CHF3O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)8(5,6)7/h5-16H2,1-4H3;(H,5,6,7)/q+1;/p-1 | YNJQKNVVBBIPBA-UHFFFAOYSA-M | C17H36F3NO3S | 391.5 | 391.2368 | null | 65.6 | 261 | 0 | 0 | 6 | 12 | 25 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-MERCAPTOPROPYLTRIETHOXYSILANE | 014814-09-6 | 84,658 | 3-triethoxysilylpropane-1-thiol | CCO[Si](CCCS)(OCC)OCC | InChI=1S/C9H22O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h13H,4-9H2,1-3H3 | DCQBZYNUSLHVJC-UHFFFAOYSA-N | C9H22O3SSi | 238.42 | 238.105892 | null | 28.7 | 118 | 0 | 1 | 4 | 9 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
GADOLINIUM BROMIDE | 013818-75-2 | 83,754 | tribromogadolinium | Br[Gd](Br)Br | InChI=1S/3BrH.Gd/h3*1H;/q;;;+3/p-3 | KGOKDPWKDBWITQ-UHFFFAOYSA-K | Br3Gd | 396.96 | 396.67707 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DL-THREITOL | 006968-16-7 | 8,998 | butane-1,2,3,4-tetrol | C(C(C(CO)O)O)O | InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2 | UNXHWFMMPAWVPI-UHFFFAOYSA-N | C4H10O4 | 122.12 | 122.057909 | -2.3 | 80.9 | 48 | 0 | 4 | 4 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-(DIMETHYLAMINO)-2-METHYL-2-PROPENAL | 019125-76-9 | 2,777,801 | (E)-3-(dimethylamino)-2-methylprop-2-enal | C/C(=C\N(C)C)/C=O | InChI=1S/C6H11NO/c1-6(5-8)4-7(2)3/h4-5H,1-3H3/b6-4+ | JGAMOQYFDMQPRJ-GQCTYLIASA-N | C6H11NO | 113.16 | 113.084064 | 0.5 | 20.3 | 105 | 0 | 0 | 2 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-DODECANOL | 010203-28-8 | 25,045 | dodecan-2-ol | CCCCCCCCCCC(C)O | InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3 | XSWSEQPWKOWORN-UHFFFAOYSA-N | C12H26O | 186.33 | 186.198365 | 5.1 | 20.2 | 91 | 0 | 1 | 1 | 9 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
(TRIMETHYLPHOSPHINE)GOLD(I) CHLORIDE | 015278-97-4 | 11,702,286 | chlorogold;trimethylphosphane | CP(C)C.Cl[Au] | InChI=1S/C3H9P.Au.ClH/c1-4(2)3;;/h1-3H3;;1H/q;+1;/p-1 | BVRRHCPRDPAYFI-UHFFFAOYSA-M | C3H9AuClP | 308.5 | 307.97961 | null | 0 | 10 | 0 | 0 | 0 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TETRAPROPOXYSILANE | 000682-01-9 | 69,627 | tetrapropyl silicate | CCCO[Si](OCCC)(OCCC)OCCC | InChI=1S/C12H28O4Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-12H2,1-4H3 | ZQZCOBSUOFHDEE-UHFFFAOYSA-N | C12H28O4Si | 264.43 | 264.175686 | null | 36.9 | 129 | 0 | 0 | 4 | 12 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
DIETHYLENE GLYCOL MONOETHYL ETHER ACETATE | 000112-15-2 | 8,165 | 2-(2-ethoxyethoxy)ethyl acetate | CCOCCOCCOC(=O)C | InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3 | FPZWZCWUIYYYBU-UHFFFAOYSA-N | C8H16O4 | 176.21 | 176.104859 | 0.2 | 44.8 | 114 | 0 | 0 | 4 | 8 | 12 | 230 °F (USCG, 1999) | 423.32 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BUTYL OLEATE | 000142-77-8 | 5,354,342 | butyl (Z)-octadec-9-enoate | CCCCCCCC/C=C\CCCCCCCC(=O)OCCCC | InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12- | WIBFFTLQMKKBLZ-SEYXRHQNSA-N | C22H42O2 | 338.6 | 338.318481 | 8.8 | 26.3 | 284 | 0 | 0 | 2 | 19 | 24 | 356 °F | 228 °C AT 15 MM HG | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ZIRCONIUM SILICATE | 014940-68-2 | 61,775 | zirconium(4+) silicate | [O-][Si]([O-])([O-])[O-].[Zr+4] | InChI=1S/O4Si.Zr/c1-5(2,3)4;/q-4;+4 | GFQYVLUOOAAOGM-UHFFFAOYSA-N | O4SiZr | 183.3 | 181.861284 | null | 92.2 | 19 | 0 | 0 | 4 | 0 | 6 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DIOCTYL FUMARATE | 000141-02-6 | 5,370,325 | bis(2-ethylhexyl) (E)-but-2-enedioate | CCCCC(CC)COC(=O)/C=C/C(=O)OCC(CC)CCCC | InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13+ | ROPXFXOUUANXRR-BUHFOSPRSA-N | C20H36O4 | 340.5 | 340.26136 | 6.5 | 52.6 | 329 | 0 | 0 | 4 | 16 | 24 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRIHEPTYLAMINE | 002411-36-1 | 75,483 | N,N-diheptylheptan-1-amine | CCCCCCCN(CCCCCCC)CCCCCCC | InChI=1S/C21H45N/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h4-21H2,1-3H3 | CLZGJKHEVKJLLS-UHFFFAOYSA-N | C21H45N | 311.6 | 311.3552 | 8.9 | 3.2 | 157 | 0 | 0 | 1 | 18 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SULFATED PROPYLOLEATE SODIUM SALT | 068517-12-4 | 23,668,655 | sodium (1-oxo-1-propoxyoctadecan-9-yl) sulfate | CCCCCCCCCC(CCCCCCCC(=O)OCCC)OS(=O)(=O)[O-].[Na+] | InChI=1S/C21H42O6S.Na/c1-3-5-6-7-8-10-13-16-20(27-28(23,24)25)17-14-11-9-12-15-18-21(22)26-19-4-2;/h20H,3-19H2,1-2H3,(H,23,24,25);/q;+1/p-1 | UCADGUQOBVAEFC-UHFFFAOYSA-M | C21H41NaO6S | 444.6 | 444.252155 | null | 101 | 464 | 0 | 0 | 6 | 21 | 29 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
POTASSIUM RICINOLEATE | 007492-30-0 | 23,716,429 | potassium (Z,12R)-12-hydroxyoctadec-9-enoate | CCCCCC[C@H](C/C=C\CCCCCCCC(=O)[O-])O.[K+] | InChI=1S/C18H34O3.K/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 | VAKMIIPDYZXBEV-DPMBMXLASA-M | C18H33KO3 | 336.6 | 336.206676 | null | 60.4 | 267 | 0 | 1 | 3 | 15 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
16-METHYLHEPTADECANOIC ACID | 002724-58-5 | 21,859 | 16-methylheptadecanoic acid | CC(C)CCCCCCCCCCCCCCC(=O)O | InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20) | XDOFQFKRPWOURC-UHFFFAOYSA-N | C18H36O2 | 284.5 | 284.27153 | 7.2 | 37.3 | 211 | 0 | 1 | 2 | 15 | 20 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHYLMALONIC ACID | 000601-75-2 | 11,756 | 2-ethylpropanedioic acid | CCC(C(=O)O)C(=O)O | InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9) | UKFXDFUAPNAMPJ-UHFFFAOYSA-N | C5H8O4 | 132.11 | 132.042259 | 0.4 | 74.6 | 115 | 0 | 2 | 4 | 3 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
METHYLIMINODIACETIC ACID | 004408-64-4 | 20,441 | 2-[carboxymethyl(methyl)amino]acetic acid | CN(CC(=O)O)CC(=O)O | InChI=1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10) | XWSGEVNYFYKXCP-UHFFFAOYSA-N | C5H9NO4 | 147.13 | 147.053158 | -3.3 | 77.8 | 129 | 0 | 2 | 5 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
11-METHYLTRIDECANOIC ACID | 029709-05-5 | 4,052,642 | 11-methyltridecanoic acid | CCC(C)CCCCCCCCCC(=O)O | InChI=1S/C14H28O2/c1-3-13(2)11-9-7-5-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16) | JIPTZBYHWFNYFB-UHFFFAOYSA-N | C14H28O2 | 228.37 | 228.20893 | 5 | 37.3 | 166 | 0 | 1 | 2 | 11 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
12-METHYLTRIDECANOIC ACID | 002724-57-4 | 520,298 | 12-methyltridecanoic acid | CC(C)CCCCCCCCCCC(=O)O | InChI=1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16) | YYVJAABUJYRQJO-UHFFFAOYSA-N | C14H28O2 | 228.37 | 228.20893 | 5 | 37.3 | 164 | 0 | 1 | 2 | 11 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TETRAETHYL METHYLENEDIPHOSPHONATE | 001660-94-2 | 15,455 | 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane | CCOP(=O)(CP(=O)(OCC)OCC)OCC | InChI=1S/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3 | STJWVOQLJPNAQL-UHFFFAOYSA-N | C9H22O6P2 | 288.21 | 288.089162 | 0.3 | 71.1 | 245 | 0 | 0 | 6 | 10 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
MAGNESIUM BROMIDE | 007789-48-2 | 82,241 | magnesium dibromide | [Mg+2].[Br-].[Br-] | InChI=1S/2BrH.Mg/h2*1H;/q;;+2/p-2 | OTCKOJUMXQWKQG-UHFFFAOYSA-L | Br2Mg | 184.11 | 183.81967 | null | 0 | 0 | 0 | 0 | 2 | 0 | 3 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TETRABUTYL ORTHOSILICATE | 004766-57-8 | 78,500 | tetrabutyl silicate | CCCCO[Si](OCCCC)(OCCCC)OCCCC | InChI=1S/C16H36O4Si/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3 | UQMOLLPKNHFRAC-UHFFFAOYSA-N | C16H36O4Si | 320.54 | 320.238286 | null | 36.9 | 169 | 0 | 0 | 4 | 16 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TETRAKIS(TRIMETHYLSILYL)SILANE | 004098-98-0 | 138,115 | tetrakis(trimethylsilyl)silane | C[Si](C)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C | InChI=1S/C12H36Si5/c1-13(2,3)17(14(4,5)6,15(7,8)9)16(10,11)12/h1-12H3 | BOJSDHZZKKYWAS-UHFFFAOYSA-N | C12H36Si5 | 320.84 | 320.166334 | null | 0 | 208 | 0 | 0 | 0 | 4 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DIMETHYL L-ASPARTATE HYDROCHLORIDE | 032213-95-9 | 2,734,892 | dimethyl (2S)-2-aminobutanedioate;hydrochloride | COC(=O)C[C@@H](C(=O)OC)N.Cl | InChI=1S/C6H11NO4.ClH/c1-10-5(8)3-4(7)6(9)11-2;/h4H,3,7H2,1-2H3;1H/t4-;/m0./s1 | PNLXWGDXZOYUKB-WCCKRBBISA-N | C6H12ClNO4 | 197.62 | 197.045486 | null | 78.6 | 157 | 0 | 2 | 5 | 5 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SODIUM FORMATE-D | 003996-15-4 | 16,212,395 | sodium deuterioformate | [2H]C(=O)[O-].[Na+] | InChI=1S/CH2O2.Na/c2-1-3;/h1H,(H,2,3);/q;+1/p-1/i1D; | HLBBKKJFGFRGMU-RWQOXAPSSA-M | CHNaO2 | 69.013 | 68.9937 | null | 40.1 | 13 | 0 | 0 | 2 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
5-BROMOPENTYL ACETATE | 015848-22-3 | 85,140 | 5-bromopentyl acetate | CC(=O)OCCCCCBr | InChI=1S/C7H13BrO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3 | JIHJLQWUVZUKCH-UHFFFAOYSA-N | C7H13BrO2 | 209.08 | 208.00989 | 2.4 | 26.3 | 93 | 0 | 0 | 2 | 6 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
AGMATINE SULFATE | 002482-00-0 | 2,794,990 | 2-(4-aminobutyl)guanidine;sulfuric acid | C(CCN=C(N)N)CN.OS(=O)(=O)O | InChI=1S/C5H14N4.H2O4S/c6-3-1-2-4-9-5(7)8;1-5(2,3)4/h1-4,6H2,(H4,7,8,9);(H2,1,2,3,4) | PTAYFGHRDOMJGC-UHFFFAOYSA-N | C5H16N4O4S | 228.27 | 228.089226 | null | 173 | 166 | 0 | 5 | 6 | 4 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DYSPROSIUM (III) CHLORIDE, ANHYDROUS | 010025-74-8 | 66,207 | trichlorodysprosium | Cl[Dy](Cl)Cl | InChI=1S/3ClH.Dy/h3*1H;/q;;;+3/p-3 | BOXVSFHSLKQLNZ-UHFFFAOYSA-K | Cl3Dy | 268.85 | 268.835739 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SULFAMIDE | 007803-58-9 | 82,267 | sulfamide | NS(=O)(=O)N | InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4) | NVBFHJWHLNUMCV-UHFFFAOYSA-N | H4N2O2S | 96.11 | 95.999349 | -1.7 | 94.6 | 85 | 0 | 2 | 4 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-AMINOETHYL METHACRYLATE HYDROCHLORIDE | 002420-94-2 | 75,495 | 2-aminoethyl 2-methylprop-2-enoate;hydrochloride | CC(=C)C(=O)OCCN.Cl | InChI=1S/C6H11NO2.ClH/c1-5(2)6(8)9-4-3-7;/h1,3-4,7H2,2H3;1H | XSHISXQEKIKSGC-UHFFFAOYSA-N | C6H12ClNO2 | 165.62 | 165.055656 | null | 52.3 | 120 | 0 | 2 | 3 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TETRABUTYLAMMONIUM ACETATE | 010534-59-5 | 82,707 | tetrabutylazanium acetate | CCCC[N+](CCCC)(CCCC)CCCC.CC(=O)[O-] | InChI=1S/C16H36N.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1 | MCZDHTKJGDCTAE-UHFFFAOYSA-M | C18H39NO2 | 301.5 | 301.29808 | null | 40.1 | 142 | 0 | 0 | 2 | 12 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
HEXYLTRIMETHOXYSILANE | 003069-19-0 | 76,478 | hexyl(trimethoxy)silane | CCCCCC[Si](OC)(OC)OC | InChI=1S/C9H22O3Si/c1-5-6-7-8-9-13(10-2,11-3)12-4/h5-9H2,1-4H3 | CZWLNMOIEMTDJY-UHFFFAOYSA-N | C9H22O3Si | 206.35 | 206.133821 | null | 27.7 | 107 | 0 | 0 | 3 | 8 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
LITHIUM METHACRYLATE | 013234-23-6 | 4,054,108 | lithium 2-methylprop-2-enoate | [Li+].CC(=C)C(=O)[O-] | InChI=1S/C4H6O2.Li/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1 | RLQOUIUVEQXDPW-UHFFFAOYSA-M | C4H5LiO2 | 92 | 92.044958 | null | 40.1 | 87 | 0 | 0 | 2 | 1 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DL-B-AMINOISOBUTYRIC ACID | 010569-72-9 | 64,956 | 3-amino-2-methylpropanoic acid | CC(CN)C(=O)O | InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7) | QCHPKSFMDHPSNR-UHFFFAOYSA-N | C4H9NO2 | 103.12 | 103.063329 | -2.9 | 63.3 | 72 | 0 | 2 | 3 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
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