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ScientificNameLabel
3-Methyl-2.4-hexanedione
PHCD compound ID : 3760
Chemical Names :
3-Methyl-2.4-hexanedione
Molecular Formula : C7H12O2
Molecular Weight : 128.08373
More Details :
Names & Synonyms: 3-methylhexane-2,4-dione
Smiles: CCC(=O)[C@@H](C(=O)C)C
InChi : InChI=1S/C7H12O2/c1-4-7(9)5(2)6(3)8/h5H,4H2,1-3H3/t5-/m1/s1
InChi Key : InChIKey=CAVUEALRYKNYRW-RXMQYKEDSA-N
PubChem ID : 538672
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.057753
Hydrogen bond donor count : 0 Electric dipole moment : 3.924
XLogP : 0.698 VDW volume : 141.935887
Molecular weight : 128.08373 HOMO-LUMO gap : 10.563000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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