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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1,2-BIS(TRICHLOROSILYL)ETHANE | 002504-64-5 | 75,631 | trichloro(2-trichlorosilylethyl)silane | C(C[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl | InChI=1S/C2H4Cl6Si2/c3-9(4,5)1-2-10(6,7)8/h1-2H2 | WDVUXWDZTPZIIE-UHFFFAOYSA-N | C2H4Cl6Si2 | 296.9 | 295.795319 | null | 0 | 87 | 0 | 0 | 0 | 1 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIETHYLENE GLYCOL, DI(3-AMINOPROPYL) ETHER | 004246-51-9 | 20,239 | 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine | C(CN)COCCOCCOCCCN | InChI=1S/C10H24N2O3/c11-3-1-5-13-7-9-15-10-8-14-6-2-4-12/h1-12H2 | JCEZOHLWDIONSP-UHFFFAOYSA-N | C10H24N2O3 | 220.31 | 220.178693 | -1.4 | 79.7 | 103 | 0 | 2 | 5 | 12 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
2-AMINOETHYL DIHYDROGEN PHOSPHATE | 001071-23-4 | 1,015 | 2-aminoethyl dihydrogen phosphate | C(COP(=O)(O)O)N | InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6) | SUHOOTKUPISOBE-UHFFFAOYSA-N | C2H8NO4P | 141.06 | 141.019095 | -4.8 | 92.8 | 98 | 0 | 3 | 5 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SULFURIC ACID, FUMING | 008014-95-7 | 24,681 | sulfuric acid;sulfur trioxide | OS(=O)(=O)O.O=S(=O)=O | InChI=1S/H2O4S.O3S/c1-5(2,3)4;1-4(2)3/h(H2,1,2,3,4); | HIFJUMGIHIZEPX-UHFFFAOYSA-N | H2O7S2 | 178.15 | 177.924195 | null | 135 | 143 | 0 | 2 | 7 | 0 | 9 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
COPPER(I) NITRIDE | 001308-80-1 | 56,841,037 | azanide;copper;copper(1+) | [NH2-].[Cu].[Cu].[Cu+] | InChI=1S/3Cu.H2N/h;;;1H2/q;;+1;-1 | DOIHHHHNLGDDRE-UHFFFAOYSA-N | Cu3H2N | 206.66 | 206.80571 | null | 1 | 3 | 0 | 1 | 1 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PIMELOYL CHLORIDE | 000142-79-0 | 67,341 | heptanedioyl dichloride | C(CCC(=O)Cl)CCC(=O)Cl | InChI=1S/C7H10Cl2O2/c8-6(10)4-2-1-3-5-7(9)11/h1-5H2 | LVIMBOHJGMDKEJ-UHFFFAOYSA-N | C7H10Cl2O2 | 197.06 | 196.005785 | 2.4 | 34.1 | 129 | 0 | 0 | 2 | 6 | 11 | 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-TRIMETHYL-N-(TRIMETHYLSILYL)SILANAMINE POTASSIUM SALT | 040949-94-8 | 3,251,421 | potassium bis(trimethylsilyl)azanide | C[Si](C)(C)[N-][Si](C)(C)C.[K+] | InChI=1S/C6H18NSi2.K/c1-8(2,3)7-9(4,5)6;/h1-6H3;/q-1;+1 | IUBQJLUDMLPAGT-UHFFFAOYSA-N | C6H18KNSi2 | 199.48 | 199.061484 | null | 1 | 80 | 0 | 0 | 1 | 2 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHYL 2-HYDROXYETHYL SULFIDE | 000110-77-0 | 8,075 | 2-ethylsulfanylethanol | CCSCCO | InChI=1S/C4H10OS/c1-2-6-4-3-5/h5H,2-4H2,1H3 | LNRIEBFNWGMXKP-UHFFFAOYSA-N | C4H10OS | 106.19 | 106.045236 | 0.6 | 45.5 | 23 | 0 | 1 | 2 | 3 | 6 | null | 184.5 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRIGLYCINE | 000556-33-2 | 11,161 | 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetic acid | C(C(=O)NCC(=O)NCC(=O)O)N | InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13) | XKUKSGPZAADMRA-UHFFFAOYSA-N | C6H11N3O4 | 189.17 | 189.074956 | -3.6 | 122 | 216 | 0 | 4 | 5 | 5 | 13 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
N,N'-BIS(2-HYDROXYETHYL)ETHYLENEDIAMINE | 004439-20-7 | 78,179 | 2-[2-(2-hydroxyethylamino)ethylamino]ethanol | C(CNCCO)NCCO | InChI=1S/C6H16N2O2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2 | GFIWSSUBVYLTRF-UHFFFAOYSA-N | C6H16N2O2 | 148.2 | 148.121178 | -1.9 | 64.5 | 53 | 0 | 4 | 4 | 7 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRICHLOROMETHANESULFONYL CHLORIDE | 002547-61-7 | 75,684 | trichloromethanesulfonyl chloride | C(S(=O)(=O)Cl)(Cl)(Cl)Cl | InChI=1S/CCl4O2S/c2-1(3,4)8(5,6)7 | ZCPSWAFANXCCOT-UHFFFAOYSA-N | CCl4O2S | 217.9 | 217.834361 | 2.3 | 42.5 | 157 | 0 | 0 | 2 | 0 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BROMOACETYL BROMIDE | 000598-21-0 | 61,147 | 2-bromoacetyl bromide | C(C(=O)Br)Br | InChI=1S/C2H2Br2O/c3-1-2(4)5/h1H2 | LSTRKXWIZZZYAS-UHFFFAOYSA-N | C2H2Br2O | 201.84 | 201.84519 | 1.6 | 17.1 | 42 | 0 | 0 | 1 | 1 | 5 | null | 298 °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 |
BISMUTH(III) FLUORIDE | 007787-61-3 | 82,233 | trifluorobismuthane | F[Bi](F)F | InChI=1S/Bi.3FH/h;3*1H/q+3;;;/p-3 | BRCWHGIUHLWZBK-UHFFFAOYSA-K | BiF3 | 265.97561 | 265.97561 | null | 0 | 8 | 0 | 0 | 3 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DISODIUM N-LAURYL-B-IMINO DIPROPIONATE | 003655-00-3 | 19,294 | disodium;3-[2-carboxylatoethyl(dodecyl)amino]propanoate | CCCCCCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-].[Na+].[Na+] | InChI=1S/C18H35NO4.2Na/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;;/h2-16H2,1H3,(H,20,21)(H,22,23);;/q;2*+1/p-2 | KSDGSKVLUHKDAL-UHFFFAOYSA-L | C18H33NNa2O4 | 373.4 | 373.220497 | null | 83.5 | 278 | 0 | 0 | 5 | 15 | 25 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BRIJ 92 | 039464-69-2 | 93,217 | 2-octadec-9-enoxyethanol;phosphoric acid | CCCCCCCCC=CCCCCCCCCOCCO.OP(=O)(O)O | InChI=1S/C20H40O2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21;1-5(2,3)4/h9-10,21H,2-8,11-20H2,1H3;(H3,1,2,3,4) | IPHYGCMVLYWKLM-UHFFFAOYSA-N | C20H43O6P | 410.5 | 410.279726 | null | 107 | 264 | 0 | 4 | 6 | 18 | 27 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
MOLYBDENUM DICHLORIDE DIOXIDE | 013637-68-8 | 139,520 | dioxomolybdenum;dihydrochloride | O=[Mo]=O.Cl.Cl | InChI=1S/2ClH.Mo.2O/h2*1H;;; | ASLHVQCNFUOEEN-UHFFFAOYSA-N | Cl2H2MoO2 | 200.87 | 201.848588 | null | 34.1 | 23 | 0 | 2 | 2 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N,N'-BIS(2-AMINOETHYL)-1,3-PROPANEDIAMINE | 004741-99-5 | 78,479 | N,N'-bis(2-aminoethyl)propane-1,3-diamine | C(CNCCN)CNCCN | InChI=1S/C7H20N4/c8-2-6-10-4-1-5-11-7-3-9/h10-11H,1-9H2 | UWMHHZFHBCYGCV-UHFFFAOYSA-N | C7H20N4 | 160.26 | 160.168797 | -2.2 | 76.1 | 59 | 0 | 4 | 4 | 8 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIETHYLPHOSPHATOETHYLTRIETHOXYSILANE | 000757-44-8 | 69,792 | 2-diethoxyphosphorylethyl(triethoxy)silane | CCO[Si](CCP(=O)(OCC)OCC)(OCC)OCC | InChI=1S/C12H29O6PSi/c1-6-14-19(13,15-7-2)11-12-20(16-8-3,17-9-4)18-10-5/h6-12H2,1-5H3 | RGAHQVPQZZNNOV-UHFFFAOYSA-N | C12H29O6PSi | 328.41 | 328.147102 | null | 63.2 | 262 | 0 | 0 | 6 | 13 | 20 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,7,-DICHLORO-1,1,3,3,5,5,7,7-OCTAMETHYLTETRASILOXANE | 002474-02-4 | 75,584 | chloro-[[[chloro(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane | C[Si](C)(O[Si](C)(C)O[Si](C)(C)Cl)O[Si](C)(C)Cl | InChI=1S/C8H24Cl2O3Si4/c1-14(2,9)11-16(5,6)13-17(7,8)12-15(3,4)10/h1-8H3 | UHRAUGIQJXURFE-UHFFFAOYSA-N | C8H24Cl2O3Si4 | 351.52 | 350.017956 | null | 27.7 | 245 | 0 | 0 | 3 | 6 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
10-UNDECENOYL CHLORIDE | 038460-95-6 | 38,042 | undec-10-enoyl chloride | C=CCCCCCCCCC(=O)Cl | InChI=1S/C11H19ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2 | MZFGYVZYLMNXGL-UHFFFAOYSA-N | C11H19ClO | 202.72 | 202.112443 | 4.8 | 17.1 | 143 | 0 | 0 | 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 |
MOLYBDENUM (V) CHLORIDE | 010241-05-1 | 61,497 | pentachloromolybdenum | Cl[Mo](Cl)(Cl)(Cl)Cl | InChI=1S/5ClH.Mo/h5*1H;/q;;;;;+5/p-5 | GICWIDZXWJGTCI-UHFFFAOYSA-I | Cl5Mo | 273.2 | 274.746717 | null | 0 | 37 | 0 | 0 | 0 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
MONO-N-DODECYLPHOSPHATE | 002627-35-2 | 75,816 | dodecyl dihydrogen phosphate | CCCCCCCCCCCCOP(=O)(O)O | InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15) | TVACALAUIQMRDF-UHFFFAOYSA-N | C12H27O4P | 266.31 | 266.164696 | 4 | 66.8 | 203 | 0 | 2 | 4 | 12 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
HEPTANOIC ANHYDRIDE | 000626-27-7 | 69,376 | heptanoyl heptanoate | CCCCCCC(=O)OC(=O)CCCCCC | InChI=1S/C14H26O3/c1-3-5-7-9-11-13(15)17-14(16)12-10-8-6-4-2/h3-12H2,1-2H3 | DAPZDAPTZFJZTO-UHFFFAOYSA-N | C14H26O3 | 242.35 | 242.188195 | 4.8 | 43.4 | 190 | 0 | 0 | 3 | 12 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
SILICON TETRAACETATE | 000562-90-3 | 68,419 | triacetyloxysilyl acetate | CC(=O)O[Si](OC(=O)C)(OC(=O)C)OC(=O)C | InChI=1S/C8H12O8Si/c1-5(9)13-17(14-6(2)10,15-7(3)11)16-8(4)12/h1-4H3 | YZVRVDPMGYFCGL-UHFFFAOYSA-N | C8H12O8Si | 264.26 | 264.030144 | null | 105 | 280 | 0 | 0 | 8 | 8 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
VANADIUM TRIBROMIDE | 013470-26-3 | 83,509 | tribromovanadium | [V](Br)(Br)Br | InChI=1S/3BrH.V/h3*1H;/q;;;+3/p-3 | ZOYIPGHJSALYPY-UHFFFAOYSA-K | Br3V | 290.65 | 289.69692 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
HEXAFLUOROPHOSPHORIC ACID | 016940-81-1 | 16,211,447 | hydron hexafluorophosphate | [H+].F[P-](F)(F)(F)(F)F | InChI=1S/F6P/c1-7(2,3,4,5)6/q-1/p+1 | LJQLCJWAZJINEB-UHFFFAOYSA-O | F6HP | 145.9722 | 145.972006 | null | 0 | 62 | 0 | 1 | 7 | 0 | 7 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SODIUM TRIMETHYLSILANOLATE | 018027-10-6 | 23,672,319 | sodium trimethyl(oxido)silane | C[Si](C)(C)[O-].[Na+] | InChI=1S/C3H9OSi.Na/c1-5(2,3)4;/h1-3H3;/q-1;+1 | HSNUIYJWTSJUMS-UHFFFAOYSA-N | C3H9NaOSi | 112.18 | 112.032036 | null | 23.1 | 32 | 0 | 0 | 1 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRIS(2-[2-METHOXYETHOXY]ETHYL)AMINE | 070384-51-9 | 112,414 | 2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]ethanamine | COCCOCCN(CCOCCOC)CCOCCOC | InChI=1S/C15H33NO6/c1-17-10-13-20-7-4-16(5-8-21-14-11-18-2)6-9-22-15-12-19-3/h4-15H2,1-3H3 | XGLVDUUYFKXKPL-UHFFFAOYSA-N | C15H33NO6 | 323.43 | 323.230788 | -0.6 | 58.6 | 175 | 0 | 0 | 7 | 18 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PERFLUORODODECANOIC ACID | 000307-55-1 | 67,545 | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid | C(=O)(C(C(C(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)(F)F)(F)F)(F)F)O | InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37) | CXGONMQFMIYUJR-UHFFFAOYSA-N | C12HF23O2 | 614.1 | 613.960927 | 7.6 | 37.3 | 879 | 0 | 1 | 25 | 10 | 37 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
RUTHENIUM (III) NITROSYL CHLORIDE TRIHYDRATE | 032535-76-5 | 16,212,639 | nitroxyl anion;trichlororuthenium;hydrate | [N-]=O.O.Cl[Ru](Cl)Cl | InChI=1S/3ClH.NO.H2O.Ru/c;;;1-2;;/h3*1H;;1H2;/q;;;-1;;+3/p-3 | PFZDHODAFLQGCU-UHFFFAOYSA-K | Cl3H2NO2Ru- | 255.4 | 254.819452 | null | 19.1 | 22 | -1 | 1 | 3 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-(TRICHLOROSILYL)ETHYL ACETATE | 018204-80-3 | 87,509 | 2-trichlorosilylethyl acetate | CC(=O)OCC[Si](Cl)(Cl)Cl | InChI=1S/C4H7Cl3O2Si/c1-4(8)9-2-3-10(5,6)7/h2-3H2,1H3 | DPFKBFAYVWIVRK-UHFFFAOYSA-N | C4H7Cl3O2Si | 221.54 | 219.928089 | null | 26.3 | 122 | 0 | 0 | 2 | 3 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
LITHIUM METASILICATE WITH QUARTZ | 010102-24-6 | 66,243 | dilithium;dioxido(oxo)silane | [Li+].[Li+].[O-][Si](=O)[O-] | InChI=1S/2Li.O3Si/c;;1-4(2)3/q2*+1;-2 | PAZHGORSDKKUPI-UHFFFAOYSA-N | Li2O3Si | 90 | 89.993677 | null | 63.2 | 18 | 0 | 0 | 3 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N,N-DIISOPROPYLMETHYLPHOSPHONAMIDIC CHLORIDE | 086030-43-5 | 4,574,914 | N-[chloro(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine | CC(C)N(C(C)C)P(OC)Cl | InChI=1S/C7H17ClNOP/c1-6(2)9(7(3)4)11(8)10-5/h6-7H,1-5H3 | VOVWQRQDSCYAEA-UHFFFAOYSA-N | C7H17ClNOP | 197.64 | 197.073629 | 2.6 | 12.5 | 103 | 0 | 0 | 2 | 4 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRIS-(2-CARBOXYETHYL)PHOSPHINE, HYDROCHLORIDE | 051805-45-9 | 2,734,570 | 3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;hydrochloride | C(CP(CCC(=O)O)CCC(=O)O)C(=O)O.Cl | InChI=1S/C9H15O6P.ClH/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15;/h1-6H2,(H,10,11)(H,12,13)(H,14,15);1H | PBVAJRFEEOIAGW-UHFFFAOYSA-N | C9H16ClO6P | 286.64 | 286.037303 | null | 112 | 222 | 0 | 4 | 6 | 9 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TIN(II) TRIFLUOROMETHANESULFONATE | 062086-04-8 | 2,776,843 | tin(2+);bis(trifluoromethanesulfonate) | C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Sn+2] | InChI=1S/2CHF3O3S.Sn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2 | RBGLVWCAGPITBS-UHFFFAOYSA-L | C2F6O6S2Sn | 416.9 | 417.806252 | null | 131 | 145 | 0 | 0 | 12 | 0 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIMETHYL BROMOMALONATE | 000868-26-8 | 70,087 | dimethyl 2-bromopropanedioate | COC(=O)C(C(=O)OC)Br | InChI=1S/C5H7BrO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3 | NEMOJKROKMMQBQ-UHFFFAOYSA-N | C5H7BrO4 | 211.01 | 209.95277 | 1 | 52.6 | 129 | 0 | 0 | 4 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TITANIUM(IV) IODIDE | 007720-83-4 | 111,328 | tetraiodotitanium | [Ti](I)(I)(I)I | InChI=1S/4HI.Ti/h4*1H;/q;;;;+4/p-4 | NLLZTRMHNHVXJJ-UHFFFAOYSA-J | I4Ti | 555.485 | 555.5658 | null | 0 | 19 | 0 | 0 | 0 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
GOLD(I) CHLORIDE | 010294-29-8 | 27,366 | chlorogold | Cl[Au] | InChI=1S/Au.ClH/h;1H/q+1;/p-1 | FDWREHZXQUYJFJ-UHFFFAOYSA-M | AuCl | 232.42 | 231.935423 | null | 0 | 2 | 0 | 0 | 0 | 0 | 2 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
PENTADECAFLUOROOCTANOYL CHLORIDE | 000335-64-8 | 78,978 | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl chloride | C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl | InChI=1S/C8ClF15O/c9-1(25)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24 | AQQBRCXWZZAFOK-UHFFFAOYSA-N | C8ClF15O | 432.51 | 431.939815 | 5.9 | 17.1 | 532 | 0 | 0 | 16 | 6 | 25 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DI-N-HEPTYLAMINE | 002470-68-0 | 75,580 | N-heptylheptan-1-amine | CCCCCCCNCCCCCCC | InChI=1S/C14H31N/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h15H,3-14H2,1-2H3 | NJWMENBYMFZACG-UHFFFAOYSA-N | C14H31N | 213.4 | 213.24565 | 5.5 | 12 | 89 | 0 | 1 | 1 | 12 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
LITHIUM-6 HYDROXIDE HYDRATE | 209337-05-3 | 71,311,290 | lithium-6(1+);hydroxide;hydrate | [6Li+].O.[OH-] | InChI=1S/Li.2H2O/h;2*1H2/q+1;;/p-1/i1-1;; | GLXDVVHUTZTUQK-TWOSSSAOSA-M | H3LiO2 | 41.038 | 41.028427 | null | 2 | 2 | 0 | 2 | 2 | 0 | 3 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SODIUM HYDROXIDE MONOHYDRATE | 012179-02-1 | 23,719,242 | sodium;hydroxide;hydrate | O.[OH-].[Na+] | InChI=1S/Na.2H2O/h;2*1H2/q+1;;/p-1 | JBJWASZNUJCEKT-UHFFFAOYSA-M | H3NaO2 | 58.012 | 58.003074 | null | 2 | 2 | 0 | 2 | 2 | 0 | 3 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
METHYLENEBIS(PHOSPHONIC DICHLORIDE) | 001499-29-2 | 5,063,078 | bis(dichlorophosphoryl)methane | C(P(=O)(Cl)Cl)P(=O)(Cl)Cl | InChI=1S/CH2Cl4O2P2/c2-8(3,6)1-9(4,5)7/h1H2 | VRXYCDTWIOCJBH-UHFFFAOYSA-N | CH2Cl4O2P2 | 249.8 | 249.825464 | 1.8 | 34.1 | 157 | 0 | 0 | 2 | 2 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
GALLIUM (III) IODIDE, ANHYDROUS, POWDER | 013450-91-4 | 83,478 | triiodogallane | [Ga](I)(I)I | InChI=1S/Ga.3HI/h;3*1H/q+3;;;/p-3 | DWRNSCDYNYYYHT-UHFFFAOYSA-K | GaI3 | 450.436 | 449.639 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 0 | 0 |
NITRONIUM TETRAFLUOROBORATE | 013826-86-3 | 11,073,463 | nitronium tetrafluoroborate | [B-](F)(F)(F)F.[N+](=O)=O | InChI=1S/BF4.NO2/c2-1(3,4)5;2-1-3/q-1;+1 | RGVZMPONLYFINH-UHFFFAOYSA-N | BF4NO2 | 132.81 | 132.995821 | null | 35.1 | 37 | 0 | 0 | 7 | 0 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 0 |
3,3,3-TRIFLUOROPROPIONIC ACID | 002516-99-6 | 2,777,972 | 3,3,3-trifluoropropanoic acid | C(C(=O)O)C(F)(F)F | InChI=1S/C3H3F3O2/c4-3(5,6)1-2(7)8/h1H2,(H,7,8) | KSNKQSPJFRQSEI-UHFFFAOYSA-N | C3H3F3O2 | 128.05 | 128.008514 | 0.8 | 37.3 | 95 | 0 | 1 | 5 | 1 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N-OCTYLDIISOPROPYLCHLOROSILANE | 117559-37-2 | 4,453,620 | chloro-octyl-di(propan-2-yl)silane | CCCCCCCC[Si](C(C)C)(C(C)C)Cl | InChI=1S/C14H31ClSi/c1-6-7-8-9-10-11-12-16(15,13(2)3)14(4)5/h13-14H,6-12H2,1-5H3 | SALITQCKMBTLPL-UHFFFAOYSA-N | C14H31ClSi | 262.93 | 262.188355 | null | 0 | 158 | 0 | 0 | 0 | 9 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
GERMANIUM(IV) BROMIDE | 013450-92-5 | 26,011 | tetrabromogermane | [Ge](Br)(Br)(Br)Br | InChI=1S/Br4Ge/c1-5(2,3)4 | VJHDVMPJLLGYBL-UHFFFAOYSA-N | Br4Ge | 392.25 | 393.59043 | null | 0 | 19 | 0 | 0 | 0 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TERT-BUTYLPHOSPHONIC ACID | 004923-84-6 | 312,546 | tert-butylphosphonic acid | CC(C)(C)P(=O)(O)O | InChI=1S/C4H11O3P/c1-4(2,3)8(5,6)7/h1-3H3,(H2,5,6,7) | OGDSVONAYZTTDA-UHFFFAOYSA-N | C4H11O3P | 138.1 | 138.044581 | -0.6 | 57.5 | 118 | 0 | 2 | 3 | 1 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ZINC BROMIDE DIHYDRATE | 018921-13-6 | 16,217,081 | dibromozinc;dihydrate | O.O.[Zn](Br)Br | InChI=1S/2BrH.2H2O.Zn/h2*1H;2*1H2;/q;;;;+2/p-2 | NSGOPMOPSWFFLF-UHFFFAOYSA-L | Br2H4O2Zn | 261.2 | 259.7849 | null | 2 | 2 | 0 | 2 | 2 | 0 | 5 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ZINC TRIFLUOROMETHANESULFONATE | 054010-75-2 | 104,671 | zinc bis(trifluoromethanesulfonate) | C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zn+2] | InChI=1S/2CHF3O3S.Zn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2 | CITILBVTAYEWKR-UHFFFAOYSA-L | C2F6O6S2Zn | 363.5 | 361.833191 | null | 131 | 145 | 0 | 0 | 12 | 0 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N,N-DIMETHYL-3-(TRIMETHOXYSILYL)PROPYLAMINE | 002530-86-1 | 75,668 | N,N-dimethyl-3-trimethoxysilylpropan-1-amine | CN(C)CCC[Si](OC)(OC)OC | InChI=1S/C8H21NO3Si/c1-9(2)7-6-8-13(10-3,11-4)12-5/h6-8H2,1-5H3 | QIOYHIUHPGORLS-UHFFFAOYSA-N | C8H21NO3Si | 207.34 | 207.12907 | null | 30.9 | 120 | 0 | 0 | 4 | 7 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
TRIS(3-AMINOPROPYL)AMINE | 004963-47-7 | 547,030 | N',N'-bis(3-aminopropyl)propane-1,3-diamine | C(CN)CN(CCCN)CCCN | InChI=1S/C9H24N4/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-12H2 | QMXSDTGNCZVWTB-UHFFFAOYSA-N | C9H24N4 | 188.31 | 188.200097 | -1.5 | 81.3 | 78 | 0 | 3 | 4 | 9 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-(AMINOMETHYL)-2-METHYL-1,3-PROPANEDIAMINE | 015995-42-3 | 4,526,530 | 2-(aminomethyl)-2-methylpropane-1,3-diamine | CC(CN)(CN)CN | InChI=1S/C5H15N3/c1-5(2-6,3-7)4-8/h2-4,6-8H2,1H3 | UGDSCHVVUPHIFM-UHFFFAOYSA-N | C5H15N3 | 117.19 | 117.126598 | -1.9 | 78.1 | 50 | 0 | 3 | 3 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1H,1H-HEPTAFLUOROBUTYLAMINE | 000374-99-2 | 67,807 | 2,2,3,3,4,4,4-heptafluorobutan-1-amine | C(C(C(C(F)(F)F)(F)F)(F)F)N | InChI=1S/C4H4F7N/c5-2(6,1-12)3(7,8)4(9,10)11/h1,12H2 | WBGBQSRNXPVFDB-UHFFFAOYSA-N | C4H4F7N | 199.07 | 199.023196 | 1.7 | 26 | 159 | 0 | 1 | 8 | 2 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRIBROMOACETIC ACID | 000075-96-7 | 6,415 | 2,2,2-tribromoacetic acid | C(=O)(C(Br)(Br)Br)O | InChI=1S/C2HBr3O2/c3-2(4,5)1(6)7/h(H,6,7) | QIONYIKHPASLHO-UHFFFAOYSA-N | C2HBr3O2 | 296.74 | 295.75062 | 2.2 | 37.3 | 83 | 0 | 1 | 2 | 0 | 7 | null | 245 °C (decomposition) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1,2-BIS(DICHLOROMETHYLSILYL)ETHANE | 003353-69-3 | 76,881 | dichloro-[2-[dichloro(methyl)silyl]ethyl]-methylsilane | C[Si](CC[Si](C)(Cl)Cl)(Cl)Cl | InChI=1S/C4H10Cl4Si2/c1-9(5,6)3-4-10(2,7)8/h3-4H2,1-2H3 | VFURVLVRHAMJKG-UHFFFAOYSA-N | C4H10Cl4Si2 | 256.1 | 255.904564 | null | 0 | 99 | 0 | 0 | 0 | 3 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
AZELAOYL CHLORIDE | 000123-98-8 | 67,165 | nonanedioyl dichloride | C(CCCC(=O)Cl)CCCC(=O)Cl | InChI=1S/C9H14Cl2O2/c10-8(12)6-4-2-1-3-5-7-9(11)13/h1-7H2 | HGEVGSTXQGZPCL-UHFFFAOYSA-N | C9H14Cl2O2 | 225.11 | 224.037085 | 3.5 | 34.1 | 151 | 0 | 0 | 2 | 8 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
5-HEXYNOIC ACID | 053293-00-8 | 143,036 | hex-5-ynoic acid | C#CCCCC(=O)O | InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h1H,3-5H2,(H,7,8) | VPFMEXRVUOPYRG-UHFFFAOYSA-N | C6H8O2 | 112.13 | 112.05243 | 0.7 | 37.3 | 118 | 0 | 1 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
R(-)-1-AMINO-2-PROPANOL | 002799-16-8 | 439,938 | (2R)-1-aminopropan-2-ol | C[C@H](CN)O | InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m1/s1 | HXKKHQJGJAFBHI-GSVOUGTGSA-N | C3H9NO | 75.11 | 75.068414 | -1 | 46.3 | 22 | 0 | 2 | 2 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N'-METHYL-2,2'-DIAMINODIETHYLAMINE | 004097-88-5 | 430,288 | N'-(2-aminoethyl)-N'-methylethane-1,2-diamine | CN(CCN)CCN | InChI=1S/C5H15N3/c1-8(4-2-6)5-3-7/h2-7H2,1H3 | HYSQEYLBJYFNMH-UHFFFAOYSA-N | C5H15N3 | 117.19 | 117.126598 | -1.4 | 55.3 | 40 | 0 | 2 | 3 | 4 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N' ' '-TERT-BUTYL-N,N,N',N',N' ',N' '-HEXAMETHYLPHOSPHORIMIDIC TRIAMIDE | 081675-81-2 | 4,195,269 | N-[tert-butylimino-bis(dimethylamino)-lambda5-phosphanyl]-N-methylmethanamine | CC(C)(C)N=P(N(C)C)(N(C)C)N(C)C | InChI=1S/C10H27N4P/c1-10(2,3)11-15(12(4)5,13(6)7)14(8)9/h1-9H3 | YRNOSHBJMBLOSL-UHFFFAOYSA-N | C10H27N4P | 234.32 | 234.197334 | 1.7 | 22.1 | 222 | 0 | 0 | 4 | 4 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N,N,N',N',N' ',N' '-HEXAMETHYLPHOSPHORIMIDICTRIAMIDE | 049778-01-0 | 4,349,627 | N-[bis(dimethylamino)phosphinimyl]-N-methylmethanamine | CN(C)P(=N)(N(C)C)N(C)C | InChI=1S/C6H19N4P/c1-8(2)11(7,9(3)4)10(5)6/h7H,1-6H3 | GKTNLYAAZKKMTQ-UHFFFAOYSA-N | C6H19N4P | 178.22 | 178.134734 | 1.4 | 33.6 | 135 | 0 | 1 | 4 | 3 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-HYDROXY-N,N,N-TRIMETHYLETHANAMINIUM HYDROXIDE | 000123-41-1 | 31,255 | 2-hydroxyethyl(trimethyl)azanium hydroxide | C[N+](C)(C)CCO.[OH-] | InChI=1S/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1 | KIZQNNOULOCVDM-UHFFFAOYSA-M | C5H15NO2 | 121.18 | 121.110279 | null | 21.2 | 46 | 0 | 2 | 2 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
4-METHYL-2-OXOVALERIC ACID | 000816-66-0 | 70 | 4-methyl-2-oxopentanoic acid | CC(C)CC(=O)C(=O)O | InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) | BKAJNAXTPSGJCU-UHFFFAOYSA-N | C6H10O3 | 130.14 | 130.062994 | 0.9 | 54.4 | 126 | 0 | 1 | 3 | 3 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
METHYL 4-CHLORO-4-OXOBUTYRATE | 001490-25-1 | 73,888 | methyl 4-chloro-4-oxobutanoate | COC(=O)CCC(=O)Cl | InChI=1S/C5H7ClO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3 | SRXOJMOGPYFZKC-UHFFFAOYSA-N | C5H7ClO3 | 150.56 | 150.008372 | 1 | 43.4 | 121 | 0 | 0 | 3 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N-METHYL-1-OCTANAMINE | 002439-54-5 | 75,538 | N-methyloctan-1-amine | CCCCCCCCNC | InChI=1S/C9H21N/c1-3-4-5-6-7-8-9-10-2/h10H,3-9H2,1-2H3 | SEGJNMCIMOLEDM-UHFFFAOYSA-N | C9H21N | 143.27 | 143.1674 | 3.7 | 12 | 52 | 0 | 1 | 1 | 7 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-PROPANESULFONIC ACID | 005284-66-2 | 78,938 | propane-1-sulfonic acid | CCCS(=O)(=O)O | InChI=1S/C3H8O3S/c1-2-3-7(4,5)6/h2-3H2,1H3,(H,4,5,6) | KCXFHTAICRTXLI-UHFFFAOYSA-N | C3H8O3S | 124.16 | 124.019415 | 0 | 62.8 | 118 | 0 | 1 | 3 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHOROUS TRIIODIDE | 013455-01-1 | 83,485 | triiodophosphane | P(I)(I)I | InChI=1S/I3P/c1-4(2)3 | PZHNNJXWQYFUTD-UHFFFAOYSA-N | I3P | 411.6872 | 411.6872 | 2.5 | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
INDIUM BROMIDE (INBR3) | 013465-09-3 | 26,046 | tribromoindigane | Br[In](Br)Br | InChI=1S/3BrH.In/h3*1H;/q;;;+3/p-3 | JKNHZOAONLKYQL-UHFFFAOYSA-K | Br3In | 354.53 | 353.65684 | 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 |
TRIIODOBORANE | 013517-10-7 | 83,546 | triiodoborane | B(I)(I)I | InChI=1S/BI3/c2-1(3)4 | YMEKEHSRPZAOGO-UHFFFAOYSA-N | BI3 | 391.53 | 391.7227 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRICHLORODECYLSILANE | 013829-21-5 | 83,764 | trichloro(decyl)silane | CCCCCCCCCC[Si](Cl)(Cl)Cl | InChI=1S/C10H21Cl3Si/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3 | HLWCOIUDOLYBGD-UHFFFAOYSA-N | C10H21Cl3Si | 275.7 | 274.04781 | null | 0 | 123 | 0 | 0 | 0 | 8 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-METHYL-(E)-2-PENTENOIC ACID | 016957-70-3 | 5,365,909 | (E)-2-methylpent-2-enoic acid | CC/C=C(\C)/C(=O)O | InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+ | JJYWRQLLQAKNAD-SNAWJCMRSA-N | C6H10O2 | 114.14 | 114.06808 | 1.4 | 37.3 | 114 | 0 | 1 | 2 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
(2H)HYDROGEN IODIDE | 014104-45-1 | 123,337 | null | [1H]I | InChI=1S/HI/h1H/i/hH | XMBWDFGMSWQBCA-FTGQXOHASA-N | HI | 127.9123 | 127.9123 | 0.9 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BIS(2,4,4-TRIMETHYLPENTYL)PHOSPHINOTHIOIC ACID | 132767-86-3 | 6,913,890 | hydroxy-sulfanylidene-bis(2,4,4-trimethylpentyl)-lambda5-phosphane | CC(CC(C)(C)C)CP(=S)(CC(C)CC(C)(C)C)O | InChI=1S/C16H35OPS/c1-13(9-15(3,4)5)11-18(17,19)12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3,(H,17,19) | KUYLHALFMPOMKK-UHFFFAOYSA-N | C16H35OPS | 306.5 | 306.214624 | 6.4 | 52.3 | 284 | 0 | 1 | 2 | 8 | 19 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHAZENE BASE P(2) - ET | 165535-45-5 | 3,393,106 | N-[dimethylamino-ethylimino-[[tris(dimethylamino)-lambda5-phosphanylidene]amino]-lambda5-phosphanyl]-N-methylmethanamine | CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C | InChI=1S/C12H35N7P2/c1-12-13-20(15(2)3,16(4)5)14-21(17(6)7,18(8)9)19(10)11/h12H2,1-11H3 | CFUKEHPEQCSIOM-UHFFFAOYSA-N | C12H35N7P2 | 339.4 | 339.242918 | 1.8 | 40.9 | 387 | 0 | 0 | 7 | 7 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N,N'-dibutyl-1,6-Hexanediamine | 004835-11-4 | 20,972 | N,N'-dibutylhexane-1,6-diamine | CCCCNCCCCCCNCCCC | InChI=1S/C14H32N2/c1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2/h15-16H,3-14H2,1-2H3 | VZRUGPJUVWRHKM-UHFFFAOYSA-N | C14H32N2 | 228.42 | 228.256549 | 3.3 | 24.1 | 101 | 0 | 2 | 2 | 13 | 16 | null | 399.2 °F at 760 mmHg (EPA, 1998) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
(R)-(-)-2-AMINO-1-PROPANOL | 035320-23-1 | 80,308 | (2R)-2-aminopropan-1-ol | C[C@H](CO)N | InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m1/s1 | BKMMTJMQCTUHRP-GSVOUGTGSA-N | C3H9NO | 75.11 | 75.068414 | -1 | 46.3 | 22 | 0 | 2 | 2 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-BUTYLPHOSPHONIC ACID | 003321-64-0 | 76,839 | butylphosphonic acid | CCCCP(=O)(O)O | InChI=1S/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7) | UOKRBSXOBUKDGE-UHFFFAOYSA-N | C4H11O3P | 138.1 | 138.044581 | -0.3 | 57.5 | 95 | 0 | 2 | 3 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIETHYL ACETYLENEDICARBOXYLATE | 000762-21-0 | 69,803 | diethyl but-2-ynedioate | CCOC(=O)C#CC(=O)OCC | InChI=1S/C8H10O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-4H2,1-2H3 | STRNXFOUBFLVIN-UHFFFAOYSA-N | C8H10O4 | 170.16 | 170.057909 | 1.5 | 52.6 | 208 | 0 | 0 | 4 | 4 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
NICKEL TETRAFLUOROBORATE HEXAHYDRATE | 015684-36-3 | 177,615 | nickel(2+);ditetrafluoroborate;hexahydrate | [B-](F)(F)(F)F.[B-](F)(F)(F)F.O.O.O.O.O.O.[Ni+2] | InChI=1S/2BF4.Ni.6H2O/c2*2-1(3,4)5;;;;;;;/h;;;6*1H2/q2*-1;+2;;;;;; | BFFWGFMAXHCLDV-UHFFFAOYSA-N | B2F8H12NiO6 | 340.4 | 340.004565 | null | 6 | 19 | 0 | 6 | 16 | 0 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N-ACETYLETHYLENEDIAMINE | 001001-53-2 | 66,082 | N-(2-aminoethyl)acetamide | CC(=O)NCCN | InChI=1S/C4H10N2O/c1-4(7)6-3-2-5/h2-3,5H2,1H3,(H,6,7) | DAKZISABEDGGSV-UHFFFAOYSA-N | C4H10N2O | 102.14 | 102.079313 | -1.4 | 55.1 | 62 | 0 | 2 | 2 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SODIUM TETRACHLOROALUMINATE | 007784-16-9 | 16,699,350 | sodium tetrachloroalumanuide | [Na+].[Al-](Cl)(Cl)(Cl)Cl | InChI=1S/Al.4ClH.Na/h;4*1H;/q+3;;;;;+1/p-4 | CMLRNXGMTZKKSR-UHFFFAOYSA-J | AlCl4Na | 191.8 | 191.843768 | null | 0 | 19 | 0 | 0 | 1 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
4,4,4-TRIFLUOROBUTYRIC ACID | 000406-93-9 | 2,777,085 | 4,4,4-trifluorobutanoic acid | C(CC(F)(F)F)C(=O)O | InChI=1S/C4H5F3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9) | WTUCTMYLCMVYEX-UHFFFAOYSA-N | C4H5F3O2 | 142.08 | 142.024164 | 1.2 | 37.3 | 107 | 0 | 1 | 5 | 2 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
MAGNESIUM TRIFLUOROMETHANESULFONATE | 060871-83-2 | 2,734,125 | magnesium bis(trifluoromethanesulfonate) | C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Mg+2] | InChI=1S/2CHF3O3S.Mg/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2 | BZQRBEVTLZHKEA-UHFFFAOYSA-L | C2F6MgO6S2 | 322.4 | 321.889091 | null | 131 | 145 | 0 | 0 | 12 | 0 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
RUBIDIUM HYDROXIDE HYDRATE | 012026-05-0 | 16,212,572 | rubidium(1+);hydroxide;hydrate | O.[OH-].[Rb+] | InChI=1S/2H2O.Rb/h2*1H2;/q;;+1/p-1 | CHAWVFWLJTUJNI-UHFFFAOYSA-M | H3O2Rb | 120.491 | 119.925094 | null | 2 | 2 | 0 | 2 | 2 | 0 | 3 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ALUMINUM TRIFLUOROMETHANESULFONATE | 074974-61-1 | 2,737,634 | aluminum tris(trifluoromethanesulfonate) | C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Al+3] | InChI=1S/3CHF3O3S.Al/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3 | FKOASGGZYSYPBI-UHFFFAOYSA-K | C3AlF9O9S3 | 474.2 | 473.837612 | null | 197 | 145 | 0 | 0 | 18 | 0 | 25 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRIHEXYLTETRADECYLPHOSPHONIUM DECANOATE | 465527-65-5 | 16,213,695 | decanoate;trihexyl(tetradecyl)phosphanium | CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.CCCCCCCCCC(=O)[O-] | InChI=1S/C32H68P.C10H20O2/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;1-2-3-4-5-6-7-8-9-10(11)12/h5-32H2,1-4H3;2-9H2,1H3,(H,11,12)/q+1;/p-1 | HQIPXXNWLGIFAY-UHFFFAOYSA-M | C42H87O2P | 655.1 | 654.644369 | null | 40.1 | 424 | 0 | 0 | 2 | 35 | 45 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
POTASSIUM BISNONAFLUORO-1-BUTANESULFONIMIDATE | 129135-87-1 | 11,319,533 | potassium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide | C(C(C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F.[K+] | InChI=1S/C8F18NO4S2.K/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(28,29)27-33(30,31)8(25,26)4(15,16)2(11,12)6(20,21)22;/q-1;+1 | XESFGOBWYAMCMB-UHFFFAOYSA-N | C8F18KNO4S2 | 619.3 | 618.861838 | null | 86 | 876 | 0 | 0 | 23 | 8 | 34 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHANETHIOL, SODIUM SALT | 000811-51-8 | 4,459,711 | sodium ethanethiolate | CC[S-].[Na+] | InChI=1S/C2H6S.Na/c1-2-3;/h3H,2H2,1H3;/q;+1/p-1 | QJDUDPQVDAASMV-UHFFFAOYSA-M | C2H5NaS | 84.12 | 84.000966 | null | 1 | 6 | 0 | 0 | 1 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
IRON (II) TRIFLUOROMETHANESULFONATE | 059163-91-6 | 15,814,676 | iron(2+);bis(trifluoromethanesulfonate) | C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Fe+2] | InChI=1S/2CHF3O3S.Fe/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2 | PGJLOGNVZGRMGX-UHFFFAOYSA-L | C2F6FeO6S2 | 354 | 353.838985 | null | 131 | 145 | 0 | 0 | 12 | 0 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SODIUM 2-PROPANETHIOLATE | 020607-43-6 | 3,470,666 | sodium propane-2-thiolate | CC(C)[S-].[Na+] | InChI=1S/C3H8S.Na/c1-3(2)4;/h3-4H,1-2H3;/q;+1/p-1 | NQHKCHWQDDWQJR-UHFFFAOYSA-M | C3H7NaS | 98.14 | 98.016616 | null | 1 | 14 | 0 | 0 | 1 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-BROMOBUTYRYL BROMIDE | 026074-52-2 | 117,293 | 2-bromobutanoyl bromide | CCC(C(=O)Br)Br | InChI=1S/C4H6Br2O/c1-2-3(5)4(6)7/h3H,2H2,1H3 | HHKDBXNYWNUHPL-UHFFFAOYSA-N | C4H6Br2O | 229.9 | 229.87649 | 2.6 | 17.1 | 72 | 0 | 0 | 1 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-((3-AMINOPROPYL)AMINO)ETHANOL | 004461-39-6 | 78,211 | 2-(3-aminopropylamino)ethanol | C(CN)CNCCO | InChI=1S/C5H14N2O/c6-2-1-3-7-4-5-8/h7-8H,1-6H2 | GHKSKVKCKMGRDU-UHFFFAOYSA-N | C5H14N2O | 118.18 | 118.110613 | -1.5 | 58.3 | 41 | 0 | 3 | 3 | 5 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BISMUTH(III) TRIFLUOROMETHANESULFONATE | 088189-03-1 | 9,917,655 | bismuth tris(trifluoromethanesulfonate) | C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Bi+3] | InChI=1S/3CHF3O3S.Bi/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3 | NYENCOMLZDQKNH-UHFFFAOYSA-K | C3BiF9O9S3 | 656.2 | 655.83647 | null | 197 | 145 | 0 | 0 | 18 | 0 | 25 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
(3,3-DIMETHYLBUTYL)TRICHLOROSILANE | 105732-02-3 | 14,111,683 | trichloro(3,3-dimethylbutyl)silane | CC(C)(C)CC[Si](Cl)(Cl)Cl | InChI=1S/C6H13Cl3Si/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3 | SJADGKAUTXKTQE-UHFFFAOYSA-N | C6H13Cl3Si | 219.6 | 217.98521 | null | 0 | 101 | 0 | 0 | 0 | 2 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
POTASSIUM BIS(TRIFLUOROMETHANESULFONYL)IMIDE | 090076-67-8 | 11,099,217 | potassium bis(trifluoromethylsulfonyl)azanide | C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[K+] | InChI=1S/C2F6NO4S2.K/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+1 | KVFIZLDWRFTUEM-UHFFFAOYSA-N | C2F6KNO4S2 | 319.25 | 318.881 | null | 86 | 379 | 0 | 0 | 11 | 2 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
5-HEXENOIC ACID | 001577-22-6 | 15,308 | hex-5-enoic acid | C=CCCCC(=O)O | InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8) | XUDOZULIAWNMIU-UHFFFAOYSA-N | C6H10O2 | 114.14 | 114.06808 | 1.2 | 37.3 | 86 | 0 | 1 | 2 | 4 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
(S)-(+)-2-METHYLBUTYRIC ACID | 001730-91-2 | 448,893 | (2S)-2-methylbutanoic acid | CC[C@H](C)C(=O)O | InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1 | WLAMNBDJUVNPJU-BYPYZUCNSA-N | C5H10O2 | 102.13 | 102.06808 | 1.2 | 37.3 | 68 | 0 | 1 | 2 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
8-HYDROXYOCTANOIC ACID | 000764-89-6 | 69,820 | 8-hydroxyoctanoic acid | C(CCCC(=O)O)CCCO | InChI=1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11) | KDMSVYIHKLZKET-UHFFFAOYSA-N | C8H16O3 | 160.21 | 160.109944 | -0.1 | 57.5 | 102 | 0 | 2 | 3 | 7 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
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