CHEBI:41674 - cyclohexane-1,2-dione

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ChEBI Name cyclohexane-1,2-dione
ChEBI ID CHEBI:41674
Definition A cyclohexanedione carrying oxo substituents at positions 1 and 2.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41668, CHEBI:4008
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Formula C6H8O2
Net Charge 0
Average Mass 112.12652
Monoisotopic Mass 112.05243
InChI InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2
InChIKey OILAIQUEIWYQPH-UHFFFAOYSA-N
SMILES O=C1CCCCC1=O
ChEBI Ontology
Outgoing cyclohexane-1,2-dione (CHEBI:41674) is a cyclohexanedione (CHEBI:23478)
Incoming 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 Sources
1,2-cyclohexadione NIST Chemistry WebBook
1,2-cyclohexanedione ChemIDplus
1,2-dioxocyclohexane NIST Chemistry WebBook
cyclohexan-1,2-dione UniProt
Manual Xrefs Databases
C06105 KEGG COMPOUND
HMDB0031344 HMDB
View more database links
Registry Numbers Types Sources
507419 Beilstein Registry Number Beilstein
507419 Reaxys Registry Number Reaxys
533208 Gmelin Registry Number Gmelin
765-87-7 CAS Registry Number NIST Chemistry WebBook
765-87-7 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
9261119 PubMed citation Europe PMC
Last Modified
13 April 2015