Summary

IMPPAT Phytochemical identifier: IMPHY016121

Phytochemical name: 1-Hydroxybutan-2-one

Synonymous chemical names:
1 -hydroxy-2-butanone

External chemical identifiers:
CID:521300, ChEBI:88390, ZINC:ZINC000002005854, FDASRS:M57N50D82D, SureChEMBL:SCHEMBL43378, MolPort-003-894-583

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Chemical structure information

SMILES:
CCC(=O)CO

InChI:
InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3

InChIKey:
GFAZHVHNLUBROE-UHFFFAOYSA-N

DeepSMILES:
CCC=O)CO

Functional groups:
CC(C)=O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.316

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Chemical structure download