5-Methyl-2,3-hexanedione (CHEBI:173493)

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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	5-Methyl-2,3-hexanedione

ChEBI ID	CHEBI:173493

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H12O2

Net Charge

Average Mass

128.171

Monoisotopic Mass

128.08373

InChI

InChI=1S/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3

InChIKey

PQCLJXVUAWLNSV-UHFFFAOYSA-N

SMILES

O=C(CC(C)C)C(=O)C

ChEBI Ontology
Outgoing	5-Methyl-2,3-hexanedione (CHEBI:173493) is a α-diketone (CHEBI:51869)

IUPAC Name

5-methylhexane-2,3-dione

Registry Number	Type	Source
13706-86-0	CAS Registry Number	ChemIDplus