Summary

IMPPAT Phytochemical identifier: IMPHY015842

Phytochemical name: Methyl propionate

Synonymous chemical names:
methyl propanoate, methyl propionate

External chemical identifiers:
CID:11124, ChEMBL:CHEMBL3183973, ChEBI:89873, ZINC:ZINC000001699947, FDASRS:NB21C0D33W, SureChEMBL:SCHEMBL15434, MolPort-003-925-859

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Chemical structure information

SMILES:
CCC(=O)OC

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

InChIKey:
RJUFJBKOKNCXHH-UHFFFAOYSA-N

DeepSMILES:
CCC=O)OC

Functional groups:
COC(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: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.16

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Chemical structure download