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CHEBI:86560 - 4-acetoxy benzoic acid

ChEBI IDCHEBI:86560
ChEBI Name4-acetoxy benzoic acid
Stars
DefinitionA member of the class of benzoic acids that is benzoic acid substituted by an acetoxy group at position 4.
Last Modified3 April 2018
DownloadsMolfile
FormulaC9H8O4
Net Charge0
Average Mass180.159
Monoisotopic Mass180.04226
SMILESCC(=O)Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)
InChIKeyGDBUZIKSJGRBJP-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)
4-acetoxy benzoic acid (CHEBI:86560) is a benzoic acids (CHEBI:22723)
4-acetoxy benzoic acid (CHEBI:86560) is a phenyl acetates (CHEBI:140310)
IUPAC Name 
4-(acetyloxy)benzoic acid
Synonyms  Source
p-hydroxybenzoic acid acetateChEBI
4-carboxyphenyl acetateNIST Chemistry WebBook
p-acetoxybenzoic acidNIST Chemistry WebBook
Registry NumbersSources
Reaxys:1871997Reaxys
CAS:2345-34-8ChemIDplus
CAS:2345-34-8NIST Chemistry WebBook