CHEBI:86582 - O-acetylferulic acid

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ChEBI Name O-acetylferulic acid
ChEBI ID CHEBI:86582
ChEBI ASCII Name O-acetylferulic acid
Definition A phenyl acetate obtained by the formal condensation of the phenolic group of ferulic acid with acetic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H12O5
Net Charge 0
Average Mass 236.22070
Monoisotopic Mass 236.06847
InChI InChI=1S/C12H12O5/c1-8(13)17-10-5-3-9(4-6-12(14)15)7-11(10)16-2/h3-7H,1-2H3,(H,14,15)/b6-4+
InChIKey IHKNVZISLLDMOR-GQCTYLIASA-N
SMILES COc1cc(\C=C\C(O)=O)ccc1OC(C)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing O-acetylferulic acid (CHEBI:86582) has functional parent ferulic acid (CHEBI:17620)
O-acetylferulic acid (CHEBI:86582) is a cinnamic acids (CHEBI:23252)
O-acetylferulic acid (CHEBI:86582) is a monomethoxybenzene (CHEBI:25235)
O-acetylferulic acid (CHEBI:86582) is a phenyl acetates (CHEBI:140310)
IUPAC Name
(2E)-3-[4-(acetyloxy)-3-methoxyphenyl]prop-2-enoic acid
Synonyms Sources
3-Methoxy-4-acetoxycinnamic acid ChemIDplus
4-Acetoxy-3-methoxycinnamic acid ChemIDplus
acetylated ferulic acid ChEBI
Acetylferulic acid ChemIDplus
trans-3-[4-acetyloxy-3-methoxyphenyl]-2-propenoic acid ChEBI
Registry Numbers Types Sources
2218027 Reaxys Registry Number Reaxys
2596-47-6 CAS Registry Number ChemIDplus
Last Modified
03 April 2018