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CHEBI:37277 - cyclohexylacetic acid

ChEBI IDCHEBI:37277
ChEBI Namecyclohexylacetic acid
Stars
DefinitionA monocarboxylic acid consisting of cyclohexane carrying a carboxymethyl substituent.
Last Modified27 February 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H14O2
Net Charge0
Average Mass142.198
Monoisotopic Mass142.09938
SMILESO=C(O)CC1CCCCC1
InChIInChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
InChIKeyLJOODBDWMQKMFB-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)
cyclohexylacetic acid (CHEBI:37277) has functional parent acetic acid (CHEBI:15366)
cyclohexylacetic acid (CHEBI:37277) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
cyclohexylacetic acid
Synonyms  Source
Cyclohexaneacetic acidChemIDplus
Cyclohexylethanoic acidChemIDplus
Manual XrefsDatabases
HMDB0031403HMDB
Registry NumbersSources
Reaxys:2041326Reaxys
CAS:5292-21-7ChemIDplus
CAS:5292-21-7NIST Chemistry WebBook