EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:86582 - O-acetylferulic acid

ChEBI IDCHEBI:86582
ChEBI NameO-acetylferulic acid
Stars
ASCII NameO-acetylferulic acid
DefinitionA phenyl acetate obtained by the formal condensation of the phenolic group of ferulic acid with acetic acid.
Last Modified3 April 2018
DownloadsMolfile
FormulaC12H12O5
Net Charge0
Average Mass236.223
Monoisotopic Mass236.06847
SMILESCOc1cc(/C=C/C(=O)O)ccc1OC(C)=O
InChIInChI=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+
InChIKeyIHKNVZISLLDMOR-GQCTYLIASA-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)
O-acetylferulic acid (CHEBI:86582) has functional parent trans-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  Source
acetylated ferulic acidChEBI
trans-3-[4-acetyloxy-3-methoxyphenyl]-2-propenoic acidChEBI
3-Methoxy-4-acetoxycinnamic acidChemIDplus
Acetylferulic acidChemIDplus
4-Acetoxy-3-methoxycinnamic acidChemIDplus
Registry NumbersSources
Reaxys:2218027Reaxys
CAS:2596-47-6ChemIDplus