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CHEBI:86581 - 3-(4'-acetoxyphenyl)propionic acid

ChEBI IDCHEBI:86581
ChEBI Name3-(4'-acetoxyphenyl)propionic acid
Stars
DefinitionA monocarboxylic acid that is propionic acid substituted by a 4'-acetoxyphenyl group at position 3.
Last Modified22 July 2015
DownloadsMolfile
FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
SMILESCC(=O)Oc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H12O4/c1-8(12)15-10-5-2-9(3-6-10)4-7-11(13)14/h2-3,5-6H,4,7H2,1H3,(H,13,14)
InChIKeyYQPHNMWXZLUIJX-UHFFFAOYSA-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)
3-(4'-acetoxyphenyl)propionic acid (CHEBI:86581) is a acetate ester (CHEBI:47622)
3-(4'-acetoxyphenyl)propionic acid (CHEBI:86581) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
3-[4-(acetyloxy)phenyl]propanoic acid
Synonym  Source
acetylated dihydrocoumaric acidChEBI
Registry NumbersSources
Reaxys:2110567Reaxys