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Beta-hydroxy ketones
Description:
Ketones containing a hydroxyl group attached to the beta-carbon atom, relative to the C=O group.
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4-HYDROXY-2-PENTANONECas Number: 4161-60-8Formula: C5H10O2 Molecular Weight: 102.1317SMILES: CC(CC(=O)C)OInChIKey: PCYZZYAEGNVNMH-UHFFFAOYSA-NInChI: InChI=1S/C5H10O2/c1-4(6)3-5(2)7/h4,6H,3H2,1-2H3 -
1，5-Dihydroxypentan-3-oneCas Number: 4254-85-7 Compound CID: 14923234IUPAC Name: 1,5-dihydroxypentan-3-oneSMILES: C(CO)C(=O)CCOInChIKey: DEOWHQAFPBKSMV-UHFFFAOYSA-NInChI: InChI=1S/C5H10O3/c6-3-1-5(8)2-4-7/h6-7H,1-4H2
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5，5，5-Trifluoro-4-Hydroxy-4-(Trifluoromethyl)-2-PentanoneCas Number: 10487-10-2 Compound CID: 293420IUPAC Name: 5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-oneSMILES: CC(=O)CC(C(F)(F)F)(C(F)(F)F)OInChIKey: PUQOFPBLAZEPBN-UHFFFAOYSA-NInChI: InChI=1S/C6H6F6O2/c1-3(13)2-4(14,5(7,8)9)6(10,11)12/h14H,2H2,1H3
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4-hydroxy-3，3-dimethyl-2-ButanoneCas Number: 1823-90-1 Compound CID: 11194318Formula: C6H12O2 Molecular Weight: 116.16IUPAC Name: 4-hydroxy-3,3-dimethylbutan-2-oneSMILES: CC(=O)C(C)(C)COInChIKey: DYAWMXSWDGPGOI-UHFFFAOYSA-NInChI: InChI=1S/C6H12O2/c1-5(8)6(2,3)4-7/h7H,4H2,1-3H3
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2，6-Dimethoxy-1-acetonylquinolCas Number: 2215-96-5 Compound CID: 241783IUPAC Name: 4-hydroxy-3,5-dimethoxy-4-(2-oxopropyl)cyclohexa-2,5-dien-1-oneSMILES: CC(=O)CC1(C(=CC(=O)C=C1OC)OC)OInChIKey: KMNCHTPRXWQOIZ-UHFFFAOYSA-NInChI: InChI=1S/C11H14O5/c1-7(12)6-11(14)9(15-2)4-8(13)5-10(11)16-3/h4-5,14H,6H2,1-3H3
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Sodium HouttuyfonateCas Number: 83766-73-8 Compound CID: 23663544Formula: C12H23NaO5S Molecular Weight: 302.36IUPAC Name: sodium;1-hydroxy-3-oxododecane-1-sulfonateSMILES: CCCCCCCCCC(=O)CC(O)S(=O)(=O)[O-].[Na+]InChIKey: HPPWMWCITPGPKK-UHFFFAOYSA-MInChI: InChI=1S/C12H24O5S.Na/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)18(15,16)17;/h12,14H,2-10H2,1H3,(H,15,16,17);/q;+1/p-1Synonyms: Houttuynin sodium bisulfite | sodium;1-hydroxy-3-oxododecane-1-sulfonate
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Diacetone alcoholCas Number: 123-42-2 EC Number: 204-626-7Formula: C6H12O2 Molecular Weight: 116.16IUPAC Name: 4-hydroxy-4-methylpentan-2-oneSMILES: CC(=O)CC(C)(C)OInChIKey: SWXVUIWOUIDPGS-UHFFFAOYSA-NInChI: InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3Synonyms: Diacetone alcohol|4-HYDROXY-4-METHYL-2-PENTANONE|123-42-2|4-Hydroxy-4-methylpentan-2-one|Diacetonalkohol|Diketone alc...
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Diacetone alcoholCas Number: 123-42-2 EC Number: 204-626-7Formula: C6H12O2 Molecular Weight: 116.16IUPAC Name: 4-hydroxy-4-methylpentan-2-oneSMILES: CC(=O)CC(C)(C)OInChIKey: SWXVUIWOUIDPGS-UHFFFAOYSA-NInChI: InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3Synonyms: Diacetone alcohol|4-HYDROXY-4-METHYL-2-PENTANONE|123-42-2|4-Hydroxy-4-methylpentan-2-one|Diacetonalkohol|Diketone alc...
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4-Hydroxy-2-butanoneCas Number: 590-90-9 EC Number: 209-693-6Formula: C4H8O2 Molecular Weight: 88.11IUPAC Name: 4-hydroxybutan-2-oneSMILES: CC(=O)CCOInChIKey: LVSQXDHWDCMMRJ-UHFFFAOYSA-NInChI: InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3Synonyms: 3-Oxobutanol | CHEBI:41268 | 1d7j | FT-0618625 | 1-hydroxy-3-butanone | 4-oxidanylbutan-2-one | EN300-84982 | H0584 |...
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Diacetone alcoholCas Number: 123-42-2 EC Number: 204-626-7Formula: C6H12O2 Molecular Weight: 116.16IUPAC Name: 4-hydroxy-4-methylpentan-2-oneSMILES: CC(=O)CC(C)(C)OInChIKey: SWXVUIWOUIDPGS-UHFFFAOYSA-NInChI: InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3Synonyms: Diacetonalkohol(german) | NCGC00249012-01 | 4-01-00-04023 (Beilstein Handbook Reference) | Diacetonalkohol [German] |...
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Diacetone alcoholCas Number: 123-42-2 EC Number: 204-626-7Formula: C6H12O2 Molecular Weight: 116.16IUPAC Name: 4-hydroxy-4-methylpentan-2-oneSMILES: CC(=O)CC(C)(C)OInChIKey: SWXVUIWOUIDPGS-UHFFFAOYSA-NInChI: InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3Synonyms: 4-Hydroxy-4-methylpentan-2-one | Diketone alcohol | Diacetone-alcool | Diacetone alcohol | Acetonyldimethylcarbinol |...
