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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyclohexa-1,5-diene-1-carboxylic acid
ChEBI ID CHEBI:49262
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H8O2
Net Charge 0
Average Mass 124.13722
Monoisotopic Mass 124.05243
InChI InChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5-6/h2,4-5H,1,3H2,(H,8,9)
InChIKey QXHJRNVPNQKMLR-UHFFFAOYSA-N
SMILES OC(=O)C1=CCCC=C1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cyclohexa-1,5-diene-1-carboxylic acid (CHEBI:49262) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
cyclohexa-1,5-diene-1-carboxylic acid (CHEBI:49262) is a cyclohexadienecarboxylic acid (CHEBI:23468)
Incoming 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 acid ChEBI
Registry Numbers Types Sources
2431062 Beilstein Registry Number Beilstein
40002-23-1 CAS Registry Number ChemIDplus
Last Modified
27 June 2014