CHEBI:86584 - methyl p-coumarate acetate

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ChEBI Name methyl p-coumarate acetate ChEBI ID CHEBI:86584 ChEBI ASCII Name methyl p-coumarate acetate Definition A phenyl acetate obtained by the formal condensation of the hydroxy group of trans-4-coumaric acid with acetic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H12O4 Net Charge 0 Average Mass 220.22130 Monoisotopic Mass 220.07356 InChI InChI=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+ InChIKey IVNWLXAJTPUMJK-VMPITWQZSA-N SMILES COC(=O)\C=C\c1ccc(OC(C)=O)cc1 ChEBI Ontology Outgoing 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 coumarate ChEBI Registry Number Type Source 2113751 Reaxys Registry Number Reaxys Last Modified 03 April 2018