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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:41674 - cyclohexane-1,2-dione
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ChEBI Ontology
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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
Supplier Information
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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
Type
Source
9261119
PubMed citation
Europe PMC
Last Modified
13 April 2015