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CHEBI:179466 - Heptan-2,5-dione

Default Structure
ChEBI IDCHEBI:179466
ChEBI NameHeptan-2,5-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O2
Net Charge0
Average Mass128.171
Monoisotopic Mass128.08373
SMILESCCC(=O)CCC(C)=O
InChIInChI=1S/C7H12O2/c1-3-7(9)5-4-6(2)8/h3-5H2,1-2H3
InChIKeyHGRGPAAXHOTBAM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Heptan-2,5-dione (CHEBI:179466) is a ketone (CHEBI:17087)
IUPAC Name 
heptane-2,5-dione
Manual XrefsDatabases
14803ChemSpider
LMFA12000245LIPID MAPS
Registry NumbersSources
CAS:1703-51-1ChemIDplus