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CHEBI:71213 - 3-oxocyclopentanecarboxylic acid

ChEBI IDCHEBI:71213
ChEBI Name3-oxocyclopentanecarboxylic acid
Stars
DefinitionAn alicyclic ketone that is oxocyclopentanone substituted at position 3 by a carboxy group.
Last Modified21 November 2012
SubmitterSteve
DownloadsMolfile
FormulaC6H8O3
Net Charge0
Average Mass128.127
Monoisotopic Mass128.04734
SMILESO=C1CCC(C(=O)O)C1
InChIInChI=1S/C6H8O3/c7-5-2-1-4(3-5)6(8)9/h4H,1-3H2,(H,8,9)
InChIKeyRDSNBKRWKBMPOP-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)
3-oxocyclopentanecarboxylic acid (CHEBI:71213) is a 4-oxo monocarboxylic acid (CHEBI:35950)
3-oxocyclopentanecarboxylic acid (CHEBI:71213) is a alicyclic ketone (CHEBI:36132)
3-oxocyclopentanecarboxylic acid (CHEBI:71213) is conjugate acid of 3-oxocyclopentanecarboxylate (CHEBI:71191)
Incoming Relation(s)
3-oxocyclopentanecarboxylate (CHEBI:71191) is conjugate base of 3-oxocyclopentanecarboxylic acid (CHEBI:71213)
IUPAC Name 
3-oxocyclopentanecarboxylic acid
Synonyms  Source
3-ketocyclopentanecarboxylic acidChEBI
cyclopentanone-3-carboxylic acidChEBI
Manual XrefsDatabases
WO2010107765Patent
US2008081803Patent
US2007191406Patent
WO2006020277Patent
Registry NumbersSources
Reaxys:2084326Reaxys