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CHEBI:86580 - 4-acetoxycinnamic acid

ChEBI IDCHEBI:86580
ChEBI Name4-acetoxycinnamic acid
Stars
DefinitionAn acetate ester obtained by the formal condensation of the hydroxy group of trans-4-coumaric acid with acetic acid.
Last Modified3 April 2018
DownloadsMolfile
FormulaC11H10O4
Net Charge0
Average Mass206.197
Monoisotopic Mass206.05791
SMILESCC(=O)Oc1ccc(/C=C/C(=O)O)cc1
InChIInChI=1S/C11H10O4/c1-8(12)15-10-5-2-9(3-6-10)4-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-4+
InChIKeyBYHBHNKBISXCEP-QPJJXVBHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-acetoxycinnamic acid (CHEBI:86580) has functional parent trans-4-coumaric acid (CHEBI:32374)
4-acetoxycinnamic acid (CHEBI:86580) is a cinnamic acids (CHEBI:23252)
4-acetoxycinnamic acid (CHEBI:86580) is a phenyl acetates (CHEBI:140310)
IUPAC Name 
(2E)-3-[4-(acetyloxy)phenyl]prop-2-enoic acid
Synonym  Source
acetylated coumaric acidChEBI
Registry NumbersSources
Reaxys:2806111Reaxys