CHEBI:229775 - 4-oxocyclohex-2-ene-1-carboxylic acid

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ChEBI Name 4-oxocyclohex-2-ene-1-carboxylic acid
ChEBI ID CHEBI:229775
Definition A cyclohexenecarboxylic acid that is 4-oxocyclohexanecarboxylic acid carrying a double bond at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H8O3
Net Charge 0
Average Mass 140.138
Monoisotopic Mass 140.04734
InChI InChI=1S/C7H8O3/c8-6-3-1-5(2-4-6)7(9)10/h1,3,5H,2,4H2,(H,9,10)
InChIKey JBSILJIXXSXXTF-UHFFFAOYSA-N
SMILES OC(=O)C1CCC(=O)C=C1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 4-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:229775) has functional parent 4-oxocyclohexanecarboxylic acid (CHEBI:1921)
4-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:229775) is a 5-oxo monocarboxylic acid (CHEBI:35952)
4-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:229775) is a cyclohexenecarboxylic acid (CHEBI:23483)
4-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:229775) is a cyclohexenones (CHEBI:48953)
4-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:229775) is conjugate acid of 4-oxocyclohex-2-ene-1-carboxylate (CHEBI:229702)
Incoming 4-oxocyclohex-2-ene-1-carboxylate (CHEBI:229702) is conjugate base of 4-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:229775)
IUPAC Name
4-oxocyclohex-2-ene-1-carboxylic acid
Synonym Source
4-oxo-2-cyclohexene-1-carboxylic acid ChEBI
Last Modified
14 March 2024