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CHEBI:41674 - cyclohexane-1,2-dione

ChEBI IDCHEBI:41674
ChEBI Namecyclohexane-1,2-dione
Stars
DefinitionA cyclohexanedione carrying oxo substituents at positions 1 and 2.
Secondary ChEBI IDsCHEBI:4008, CHEBI:41668
Last Modified13 April 2015
DownloadsMolfile
FormulaC6H8O2
Net Charge0
Average Mass112.128
Monoisotopic Mass112.05243
SMILESO=C1CCCCC1=O
InChIInChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2
InChIKeyOILAIQUEIWYQPH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
cyclohexane-1,2-dione (CHEBI:41674) is a cyclohexanedione (CHEBI:23478)
Incoming Relation(s)
3,5/4-trihydroxycyclohexane-1,2-dione (CHEBI:16145) has functional parent cyclohexane-1,2-dione (CHEBI:41674)
IUPAC Name 
cyclohexane-1,2-dione
Synonyms  Source
1,2-cyclohexanedioneChemIDplus
1,2-dioxocyclohexaneNIST Chemistry WebBook
1,2-cyclohexadioneNIST Chemistry WebBook
UniProt Name  Source
cyclohexan-1,2-dioneUniProt
Manual XrefsDatabases
C06105KEGG COMPOUND
HMDB0031344HMDB
Registry NumbersSources
Beilstein:507419Beilstein
Gmelin:533208Gmelin
Reaxys:507419Reaxys
CAS:765-87-7KEGG COMPOUND
CAS:765-87-7ChemIDplus
CAS:765-87-7NIST Chemistry WebBook
Citations