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ScientificNameLabel
Cyclohexanone.3.3.5-trimethyl-
PHCD compound ID : 3762
Chemical Names :
Cyclohexanone.3.3.5-trimethyl-
Molecular Formula : C9H16O1
Molecular Weight : 140.120115
More Details :
Names & Synonyms: 3,3,5-trimethylcyclohexanone , 3,3,5-trimethyl-1-cyclohexanone , 3,3,5-trimethylcyclohexan-1-one
Smiles: C[C@@H]1CC(=O)CC(C1)(C)C
InChi : InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3/t7-/m1/s1
InChi Key : InChIKey=POSWICCRDBKBMH-SSDOTTSWSA-N
PubChem ID : 13398
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.877822
Hydrogen bond donor count : 0 Electric dipole moment : 3.598
XLogP : 2.542 VDW volume : 158.01763
Molecular weight : 140.120115 HOMO-LUMO gap : 10.893000
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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