3-Methyl-1,2-cyclopentanedione (CHEBI:173373)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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-cyclopentanedione

ChEBI ID	CHEBI:173373

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C6H8O2

Net Charge

Average Mass

112.128

Monoisotopic Mass

112.05243

InChI

InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3

InChIKey

OACYKCIZDVVNJL-UHFFFAOYSA-N

SMILES

O=C1C(CCC1=O)C

ChEBI Ontology
Outgoing	3-Methyl-1,2-cyclopentanedione (CHEBI:173373) is a cyclic ketone (CHEBI:3992)

IUPAC Name

3-methylcyclopentane-1,2-dione

Registry Number	Type	Source
765-70-8	CAS Registry Number	ChemIDplus