CHEBI:173490 - 3,4-Heptanedione

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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 3,4-Heptanedione
ChEBI ID CHEBI:173490
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C7H12O2
Net Charge 0
Average Mass 128.171
Monoisotopic Mass 128.08373
InChI InChI=1S/C7H12O2/c1-3-5-7(9)6(8)4-2/h3-5H2,1-2H3
InChIKey LBCCPKFTHIBIKU-UHFFFAOYSA-N
SMILES O=C(CCC)C(=O)CC
ChEBI Ontology
Outgoing 3,4-Heptanedione (CHEBI:173490) is a α-diketone (CHEBI:51869)
IUPAC Name
heptane-3,4-dione
Manual Xrefs Databases
75494 ChemSpider
HMDB0031477 HMDB
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Registry Number Type Source
13706-89-3 CAS Registry Number ChemIDplus