Summary

IMPPAT Phytochemical identifier: IMPHY017567

Phytochemical name: Allyl propionate

Synonymous chemical names:
allyl n-propionate

External chemical identifiers:
CID:61319, ChEBI:166457, ZINC:ZINC000001683670, FDASRS:0OYW8C5029, SureChEMBL:SCHEMBL194711

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Chemical structure information

SMILES:
CCC(=O)OCC=C

InChI:
InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3

InChIKey:
XRFWKHVQMACVTA-UHFFFAOYSA-N

DeepSMILES:
CCC=O)OCC=C

Functional groups:
C=CC, 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: 0.22

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Chemical structure download