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CHEBI:49262 - cyclohexa-1,5-diene-1-carboxylic acid

ChEBI IDCHEBI:49262
ChEBI Namecyclohexa-1,5-diene-1-carboxylic acid
Stars
Last Modified27 June 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H8O2
Net Charge0
Average Mass124.139
Monoisotopic Mass124.05243
SMILESO=C(O)C1=CCCC=C1
InChIInChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5-6/h2,4-5H,1,3H2,(H,8,9)
InChIKeyQXHJRNVPNQKMLR-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)
cyclohexa-1,5-diene-1-carboxylic acid (CHEBI:49262) is a cyclohexadienecarboxylic acid (CHEBI:23468)
cyclohexa-1,5-diene-1-carboxylic acid (CHEBI:49262) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
Incoming Relation(s)
cyclohexa-1,5-diene-1-carbonyl-CoA (CHEBI:15520) has functional parent cyclohexa-1,5-diene-1-carboxylic acid (CHEBI:49262)
IUPAC Name 
cyclohexa-1,5-diene-1-carboxylic acid
Synonym  Source
3,4-dihydrobenzoic acidChEBI
Registry NumbersSources
Beilstein:2431062Beilstein
CAS:40002-23-1ChemIDplus