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Alcohols and polyols
Description:
Organic compounds in which at least one hydroxyl functional group (-OH) is bound to a carbon atom, usually connected to other carbon or hydrogen atoms.
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1，3-DIMETHYLCYCLOPENTANOLCas Number: 19550-46-0Formula: C7H14O Molecular Weight: 114.1855SMILES: CC1CCC(C1)(C)OInChIKey: LLIFEWZQIYEVKX-UHFFFAOYSA-NInChI: InChI=1S/C7H14O/c1-6-3-4-7(2,8)5-6/h6,8H,3-5H2,1-2H3 -
(S)-1-Cyclopropylethan-1-olCas Number: 55637-37-1Formula: C5H10O Molecular Weight: 86.13SMILES: CC(C1CC1)OInChIKey: DKKVKJZXOBFLRY-BYPYZUCNSA-NInChI: InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
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methyl shikimateCas Number: 40983-58-2 Compound CID: 430652Formula: C8H12O5 Molecular Weight: 188.18IUPAC Name: methyl 3,4,5-trihydroxycyclohexene-1-carboxylateSMILES: COC(=O)C1=CC(C(C(C1)O)O)OInChIKey: LSNUUAUXWJZSFD-UHFFFAOYSA-NInChI: InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3
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6-fluorohexan-1-hexanolIUPAC Name: 6-fluorohexan-1-olSMILES: C(CCCF)CCOInChIKey: JWCOWLWBOYGUPA-UHFFFAOYSA-NInChI: InChI=1S/C6H13FO/c7-5-3-1-2-4-6-8/h8H,1-6H2
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3-Galloylquinic acidCas Number: 17365-11-6Formula: C14H16O10 Molecular Weight: 344.27SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)OInChIKey: LDPLFHGGZNSKDS-FTBFGRRBSA-NInChI: InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1
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1-Octen-4-olCas Number: 40575-42-6Formula: C8H16O Molecular Weight: C8H16OIUPAC Name: oct-1-en-4-olSMILES: CCCCC(CC=C)OInChIKey: UZGCMRVEDHLBGY-UHFFFAOYSA-NInChI: InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h4,8-9H,2-3,5-7H2,1H3
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3-Cyclopropylpropan-1-olCas Number: 5618-01-9Formula: C6H12O Molecular Weight: 100.16IUPAC Name: 3-cyclopropylpropan-1-olSMILES: C1CC1CCCOInChIKey: ISBNDFWSSCIEHO-UHFFFAOYSA-NInChI: InChI=1S/C6H12O/c7-5-1-2-6-3-4-6/h6-7H,1-5H2
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Poly(propylene glycol) monobutyl etherCas Number: 9003-13-8Formula: (C3H6O)nC4H10OIUPAC Name: 1-(1-butoxypropan-2-yloxy)propan-2-olSMILES: CCCCO.CC(O)COInChIKey: CUVLMZNMSPJDON-UHFFFAOYSA-NInChI: InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3Synonyms: Butoxypolypropylene glycol, PPG-14 Butyl Ether, PPG-16 Butyl Ether, Poly(propylene oxide) monobutyl ether, Polyoxypro...
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1,5-Pentane-d10-diolCas Number: 1219804-42-8 EC Number: 203-854-4Formula: C5H2D10O2 Molecular Weight: 114.21IUPAC Name: pentane-1,5-diolSMILES: C(CCO)CCOInChIKey: ALQSHHUCVQOPAS-UHFFFAOYSA-NInChI: InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2Synonyms: 1,5-Pentane-1,1,2,2,3,3,4,4,5,5-d10-diol | 1,5-Pentane-d10-diol | 1,5-Pentanediol-d10 | 1,5-Pentanediol-D10 | 1,5-Dih...
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Cyclohexan-d11-olCas Number: 93131-17-0Formula: C6HD11O Molecular Weight: 111.23IUPAC Name: 1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexan-1-olSMILES: C1CCC(CC1)OInChIKey: HPXRVTGHNJAIIH-KAFHOZLVSA-NInChI: InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2/i1D2,2D2,3D2,4D2,5D2,6DSynonyms: Hydroxycyclohexane-d11 | NSC 54711-d11 | Naxol-d11 | 1-Cyclohexanol-d11 | Cyclohexan-1,2,2,3,3,4,4,5,5,6,6-d11-ol
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3-Bromopropanol-d6Cas Number: 284474-43-7Formula: C3HD6BrO Molecular Weight: 145.03IUPAC Name: 3-bromo-1,1,2,2,3,3-hexadeuteriopropan-1-olSMILES: C(CO)CBrInChIKey: RQFUZUMFPRMVDX-NMFSSPJFSA-NInChI: InChI=1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2/i1D2,2D2,3D2
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tert-Butan-d9-olCas Number: 25725-11-5Formula: C4HD9O Molecular Weight: 83.18IUPAC Name: 1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-olSMILES: CC(C)(C)OInChIKey: DKGAVHZHDRPRBM-GQALSZNTSA-NInChI: InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i1D3,2D3,3D3Synonyms: 2-Methyl-2-propan-d9-ol | tert-Butyl-d9 alcohol | tert-Butyl-d9 Alcohol | 2-Propan-1,1,1,3,3,3-d6-ol | 2-(Methyl-d3)-...
