Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001462

Phytochemical name: Acetone

Synonymous chemical names:
Acetone, acetone, acetone (solvent), 2-propanone

External chemical identifiers:
CID:CID_180, ChEMBL:CHEMBL14253, ChEBI:CHEBI:15347, ZINC:ZINC000000895111, FDASRS:1364PS73AF, SureChEMBL:SCHEMBL662

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Chemical structure information

SMILES:
CC(=O)C

InChI:
InChI=1S/C3H6O/c1-3(2)4/h1-2H3

InChIKey:
CSCPPACGZOOCGX-UHFFFAOYSA-N

DeepSMILES:
CC=O)C

Functional groups:
CC(C)=O

Link to spectral information:
MSBNK-NILU-NL000518

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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: Oxygenated hydrocarbons

NP-Likeness score: 0.085

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Chemical structure download