Summary

IMPPAT Phytochemical identifier: IMPHY016874

Phytochemical name: Vinyl crotonate

Synonymous chemical names:
vinyl crotonate

External chemical identifiers:
CID:5365800, ZINC:ZINC000001680772, FDASRS:SMC9A01NVS, SureChEMBL:SCHEMBL5529, MolPort-001-786-590

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Chemical structure information

SMILES:
C=COC(=O)/C=C/C

InChI:
InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h3-5H,2H2,1H3/b5-3+

InChIKey:
IYNRVIKPUTZSOR-HWKANZROSA-N

DeepSMILES:
C=COC=O)/C=C/C

Functional groups:
C=COC(=O)/C=C/C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP-Likeness score: 1.586

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Chemical structure download