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CHEBI:176440 - 4-Fluorocinnamic acid

Default Structure
ChEBI IDCHEBI:176440
ChEBI Name4-Fluorocinnamic acid
Stars
Last Modified7 August 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H7FO2
Net Charge0
Average Mass166.151
Monoisotopic Mass166.04301
SMILESO=C(O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
InChIKeyISMMYAZSUSYVQG-ZZXKWVIFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
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-Fluorocinnamic acid (CHEBI:176440) is a cinnamic acids (CHEBI:23252)
IUPAC Name 
(E)-3-(4-luorophenyl)prop-2-enoic acid
Manual XrefsDatabases
1255136ChemSpider
Registry NumbersSources
CAS:459-32-5ChemIDplus