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2,7-Octanedione
PHCD compound ID : 3552
Chemical Names :
2,7-Octanedione
Molecular Formula : C8H14O2
Molecular Weight : 142.09938
More Details :
Names & Synonyms: octane-2,7-dione
Smiles: CC(=O)CCCCC(=O)C
InChi : InChI=1S/C8H14O2/c1-7(9)5-3-4-6-8(2)10/h3-6H2,1-2H3
InChi Key : InChIKey=NZGDDIUIXYFYFO-UHFFFAOYSA-N
PubChem ID : 74196
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.131424
Hydrogen bond donor count : 0 Electric dipole moment : 0.004
XLogP : 0.536 VDW volume : 159.231872
Molecular weight : 142.09938 HOMO-LUMO gap : 11.010000
Herb list :
Refrences & Litretures:
  
499.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'585'      DOI:''      Title:'GC/MS STUDY OF THE CHLOROFORM FRACTION OF Melilotus officinalis'
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