Heptan-2,5-dione (CHEBI:179466)

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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	Heptan-2,5-dione

ChEBI ID	CHEBI:179466

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/c1-3-7(9)5-4-6(2)8/h3-5H2,1-2H3

InChIKey

HGRGPAAXHOTBAM-UHFFFAOYSA-N

SMILES

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

ChEBI Ontology
Outgoing	Heptan-2,5-dione (CHEBI:179466) is a ketone (CHEBI:17087)

IUPAC Name

heptane-2,5-dione

Registry Number	Type	Source
1703-51-1	CAS Registry Number	ChemIDplus