Summary

IMPPAT Phytochemical identifier: IMPHY017914

Phytochemical name: Acetyl propionate

Synonymous chemical names:
acetyl propionate

Chemical structure information

SMILES:
CCC(=O)OC(=O)C

InChI:
InChI=1S/C5H8O3/c1-3-5(7)8-4(2)6/h3H2,1-2H3

InChIKey:
KLUDQUOLAFVLOL-UHFFFAOYSA-N

DeepSMILES:
CCC=O)OC=O)C

Functional groups:
CC(=O)OC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Dicarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.171

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Chemical structure download