Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007264

Phytochemical name: Hydroxyacetone

Synonymous chemical names:
acetol, 1-hydroxy-2-propanone, 1-hydroxypropan-2-one, hydroxyacetone

External chemical identifiers:
CID:CID_8299, ChEBI:CHEBI:27957, ZINC:ZINC000000895664, FDASRS:7I7YM0835W, SureChEMBL:SCHEMBL19043, MolPort-000-716-994

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Chemical structure information

SMILES:
CC(=O)CO

InChI:
InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3

InChIKey:
XLSMFKSTNGKWQX-UHFFFAOYSA-N

DeepSMILES:
CC=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-Likeness score: 0.976

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Chemical structure download