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CHEBI:86584 - methyl p-coumarate acetate

ChEBI IDCHEBI:86584
ChEBI Namemethyl p-coumarate acetate
Stars
ASCII Namemethyl p-coumarate acetate
DefinitionA phenyl acetate obtained by the formal condensation of the hydroxy group of trans-4-coumaric acid with acetic acid.
Last Modified3 April 2018
DownloadsMolfile
FormulaC12H12O4
Net Charge0
Average Mass220.224
Monoisotopic Mass220.07356
SMILESCOC(=O)/C=C/c1ccc(OC(C)=O)cc1
InChIInChI=1S/C12H12O4/c1-9(13)16-11-6-3-10(4-7-11)5-8-12(14)15-2/h3-8H,1-2H3/b8-5+
InChIKeyIVNWLXAJTPUMJK-VMPITWQZSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl p-coumarate acetate (CHEBI:86584) has functional parent trans-4-coumaric acid (CHEBI:32374)
methyl p-coumarate acetate (CHEBI:86584) is a cinnamate ester (CHEBI:36087)
methyl p-coumarate acetate (CHEBI:86584) is a phenyl acetates (CHEBI:140310)
IUPAC Name 
methyl (2E)-3-[4-(acetyloxy)phenyl]prop-2-enoate
Synonym  Source
acetylated methyl coumarateChEBI
Registry NumbersSources
Reaxys:2113751Reaxys