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CHEBI:173490 - 3,4-Heptanedione

ChEBI IDCHEBI:173490
ChEBI Name3,4-Heptanedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O2
Net Charge0
Average Mass128.171
Monoisotopic Mass128.08373
SMILESCCCC(=O)C(=O)CC
InChIInChI=1S/C7H12O2/c1-3-5-7(9)6(8)4-2/h3-5H2,1-2H3
InChIKeyLBCCPKFTHIBIKU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,4-Heptanedione (CHEBI:173490) is a α-diketone (CHEBI:51869)
IUPAC Name 
heptane-3,4-dione
Manual XrefsDatabases
HMDB0031477HMDB
75494ChemSpider
Registry NumbersSources
CAS:13706-89-3ChemIDplus