4-oxocyclohexanecarboxylic acid (CHEBI:1921)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	4-oxocyclohexanecarboxylic acid

ChEBI ID	CHEBI:1921

Definition	A 5-oxo monocarboxylic acid that is cyclohexanone in which one of the hydrogens at position 4 is substituted by a carboxylic acid group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C7H10O3

Net Charge

Average Mass

142.15250

Monoisotopic Mass

142.06299

InChI

InChI=1S/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h5H,1-4H2,(H,9,10)

InChIKey

OWLXUYGCLDGHJJ-UHFFFAOYSA-N

SMILES

OC(=O)C1CCC(=O)CC1

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	4-oxocyclohexanecarboxylic acid (CHEBI:1921) has functional parent cyclohexanecarboxylic acid (CHEBI:36096) 4-oxocyclohexanecarboxylic acid (CHEBI:1921) has functional parent cyclohexanone (CHEBI:17854) 4-oxocyclohexanecarboxylic acid (CHEBI:1921) is a 5-oxo monocarboxylic acid (CHEBI:35952) 4-oxocyclohexanecarboxylic acid (CHEBI:1921) is a cyclohexanones (CHEBI:23482) 4-oxocyclohexanecarboxylic acid (CHEBI:1921) is conjugate acid of 4-oxocyclohexanecarboxylate (CHEBI:15777)

Incoming	4-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:229775) has functional parent 4-oxocyclohexanecarboxylic acid (CHEBI:1921) ethyl 4-oxocyclohexanecarboxylate (CHEBI:166505) has functional parent 4-oxocyclohexanecarboxylic acid (CHEBI:1921) 4-oxocyclohexanecarboxylate (CHEBI:15777) is conjugate base of 4-oxocyclohexanecarboxylic acid (CHEBI:1921)

IUPAC Name

4-oxocyclohexanecarboxylic acid

Synonyms	Sources
1-cyclohexanone-4-carboxylic acid	ChEBI
4-Ketocyclohexanecarboxylic acid	ChemIDplus
cyclohexanone-4-carboxylic acid	ChEBI

Last Modified

14 March 2024