Summary

IMPPAT Phytochemical identifier: IMPHY015471

Phytochemical name: Methyl acrylate

Synonymous chemical names:
acrylic acid methyl ester

External chemical identifiers:
CID:7294, ChEMBL:CHEMBL9019, ChEBI:82482, ZINC:ZINC000001608901, FDASRS:WC487PR91H, SureChEMBL:SCHEMBL9108, MolPort-000-872-066

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Chemical structure information

SMILES:
COC(=O)C=C

InChI:
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3

InChIKey:
BAPJBEWLBFYGME-UHFFFAOYSA-N

DeepSMILES:
COC=O)C=C

Functional groups:
C=CC(=O)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Acrylic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.935

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Chemical structure download