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CHEBI:166505 - ethyl 4-oxocyclohexanecarboxylate

ChEBI IDCHEBI:166505
ChEBI Nameethyl 4-oxocyclohexanecarboxylate
Stars
DefinitionAn ethyl ester resulting from the formal condensation of the carboxy group of 4-oxocyclohexanecarboxylic acid with ethanol.
Last Modified8 July 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14O3
Net Charge0
Average Mass170.208
Monoisotopic Mass170.09429
SMILESCCOC(=O)C1CCC(=O)CC1
InChIInChI=1S/C9H14O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7H,2-6H2,1H3
InChIKeyZXYAWONOWHSQRU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl 4-oxocyclohexanecarboxylate (CHEBI:166505) has functional parent 4-oxocyclohexanecarboxylic acid (CHEBI:1921)
ethyl 4-oxocyclohexanecarboxylate (CHEBI:166505) is a cyclohexanecarboxylate ester (CHEBI:50754)
ethyl 4-oxocyclohexanecarboxylate (CHEBI:166505) is a cyclohexanones (CHEBI:23482)
ethyl 4-oxocyclohexanecarboxylate (CHEBI:166505) is a ethyl ester (CHEBI:23990)
IUPAC Name 
ethyl 4-oxocyclohexanecarboxylate
Synonyms  Source
ethyl 4-oxocyclohexane-1-carboxylateIUPAC
ethyl 4-cyclohexanonecarboxylateChemIDplus
4-oxocyclohexanecarboxylic acid ethyl esterChEBI
4-cyclohexanonecarboxylic acid ethyl esterChEBI
ethyl 4-oxocyclohexan-1-carboxylateChEBI
4-oxocyclohexane-1-carboxylic acid ethyl esterChEBI
Manual XrefsDatabases
281142ChemSpider
WO02060853Patent
Registry NumbersSources
Reaxys:2520501Reaxys
CAS:17159-79-4ChemIDplus
Citations