3-Methyl-1,2-cyclohexanedione (CHEBI:195831)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-Methyl-1,2-cyclohexanedione

ChEBI ID	CHEBI:195831

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H10O2

Net Charge

Average Mass

126.155

Monoisotopic Mass

126.06808

InChI

InChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h5H,2-4H2,1H3

InChIKey

JDXJKLGWPNXSHL-UHFFFAOYSA-N

SMILES

O=C1C(CCCC1=O)C

ChEBI Ontology
Outgoing	3-Methyl-1,2-cyclohexanedione (CHEBI:195831) is a cyclic ketone (CHEBI:3992)

IUPAC Name

3-methylcyclohexane-1,2-dione