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CHEBI:17766 - cyclohexane-1,3-dione

ChEBI IDCHEBI:17766
ChEBI Namecyclohexane-1,3-dione
Stars
DefinitionA cyclohexanedione carrying oxo substituents at positions 1 and 3.
Secondary ChEBI IDsCHEBI:4010, CHEBI:14050, CHEBI:23473
Last Modified13 November 2017
DownloadsMolfile
FormulaC6H8O2
Net Charge0
Average Mass112.128
Monoisotopic Mass112.05243
SMILESO=C1CCCC(=O)C1
InChIInChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
InChIKeyHJSLFCCWAKVHIW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
cyclohexane-1,3-dione (CHEBI:17766) is a cyclohexanedione (CHEBI:23478)
cyclohexane-1,3-dione (CHEBI:17766) is a β-diketone (CHEBI:67265)
IUPAC Name 
cyclohexane-1,3-dione
Synonyms  Source
Cyclohexane-1,3-dioneKEGG COMPOUND
1,3-CyclohexanedioneKEGG COMPOUND
DihydroresorcinolKEGG COMPOUND
UniProt Name  Source
cyclohexane-1,3-dioneUniProt
Manual XrefsDatabases
C01066KEGG COMPOUND
C01066KEGG COMPOUND
CYCLOHEXANE-13-DIONEMetaCyc
Registry NumbersSources
Gmelin:200899Gmelin
Reaxys:385888Reaxys
CAS:504-02-9KEGG COMPOUND
CAS:504-02-9ChemIDplus
CAS:504-02-9NIST Chemistry WebBook
Citations