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1.6-Dimethyl-9-(1-methylethylidene)-5.12-dioxatricyclo[9.1.0.0(4.6)]dodecan-8-one
PHCD compound ID : 3804
Chemical Names :
1.6-Dimethyl-9-(1-methylethylidene)-5.12-dioxatricyclo[9.1.0.0(4.6)]dodecan-8-one
Molecular Formula : C15H22O3
Molecular Weight : 250.156895
More Details :
Names & Synonyms:
Smiles: CC(=C1C[C@H]2O[C@]2(C)CC[C@@H]2[C@@](CC1=O)(C)O2)C
InChi : InChI=1S/C15H22O3/c1-9(2)10-7-13-14(3,18-13)6-5-12-15(4,17-12)8-11(10)16/h12-13H,5-8H2,1-4H3/t12-,13-,14-,15+/m1/s1
InChi Key : InChIKey=GTHJHHZMCSHKDZ-TUVASFSCSA-N
PubChem ID : 71307322
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.770023
Hydrogen bond donor count : 0 Electric dipole moment : 3.589
XLogP : 1.589 VDW volume : 252.024615
Molecular weight : 250.156895 HOMO-LUMO gap : 10.200000
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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