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ScientificNameLabel
Cyclohexanone.2-acetyl-
PHCD compound ID : 3764
Chemical Names :
Cyclohexanone.2-acetyl-
Molecular Formula : C8H12O2
Molecular Weight : 140.08373
More Details :
Names & Synonyms: 2-acetylcyclohexanone , 2-acetyl-1-cyclohexanone , 2-acetylcyclohexan-1-one , 2-ethanoylcyclohexan-1-one
Smiles: O=C1CCCC[C@H]1C(=O)C
InChi : InChI=1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3/t7-/m0/s1
InChi Key : InChIKey=OEKATORRSPXJHE-ZETCQYMHSA-N
PubChem ID : 13400
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.054556
Hydrogen bond donor count : 0 Electric dipole moment : 4.142
XLogP : 0.347 VDW volume : 146.875413
Molecular weight : 140.08373 HOMO-LUMO gap : 10.640000
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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