Summary

IMPPAT Phytochemical identifier: IMPHY016141

Phytochemical name: Methoxyacetone

Synonymous chemical names:
1-methoxy-2-propanone

External chemical identifiers:
CID:22172, ZINC:ZINC000002534745, FDASRS:ZHQ6G2H7L3, SureChEMBL:SCHEMBL50169, MolPort-001-785-687

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Chemical structure information

SMILES:
COCC(=O)C

InChI:
InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3

InChIKey:
CUZLJOLBIRPEFB-UHFFFAOYSA-N

DeepSMILES:
COCC=O)C

Functional groups:
CC(C)=O, COC

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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: -0.272

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Chemical structure download