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CHEBI:86585 - methyl 4-acetoxy-3-methoxycinnamate

ChEBI IDCHEBI:86585
ChEBI Namemethyl 4-acetoxy-3-methoxycinnamate
Stars
DefinitionA phenyl acetate obtained by the formal condensation of the carboxy group of acetic acid with the hydroxy group of methyl ferulate.
Last Modified3 April 2018
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILESCOC(=O)/C=C/c1ccc(OC(C)=O)c(OC)c1
InChIInChI=1S/C13H14O5/c1-9(14)18-11-6-4-10(8-12(11)16-2)5-7-13(15)17-3/h4-8H,1-3H3/b7-5+
InChIKeyHLCZBCWZTSEZGB-FNORWQNLSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 4-acetoxy-3-methoxycinnamate (CHEBI:86585) has functional parent trans-ferulic acid (CHEBI:17620)
methyl 4-acetoxy-3-methoxycinnamate (CHEBI:86585) is a cinnamate ester (CHEBI:36087)
methyl 4-acetoxy-3-methoxycinnamate (CHEBI:86585) is a monomethoxybenzene (CHEBI:25235)
methyl 4-acetoxy-3-methoxycinnamate (CHEBI:86585) is a phenyl acetates (CHEBI:140310)
IUPAC Name 
methyl (2E)-3-[4-(acetyloxy)-3-methoxyphenyl]prop-2-enoate
Synonyms  Source
acetylated methyl ferulateChEBI
ferulic acid methyl ester acetateChEBI
Registry NumbersSources
Reaxys:2468600Reaxys