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6,6-Dimethyl-2-methylenebicyclo[2.2.1]heptan-3-one
PHCD compound ID : 3097
Chemical Names :
6,6-Dimethyl-2-methylene-bicyclo[2.2.1]heptan-3-one , 6,6-Dimethyl-2-methylenebicyclo[2.2.1]heptan-3-one
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 3,5,5-trimethylnorbornan-2-one , 3,5,5-trimethyl-2-bicyclo[2.2.1]heptanone , 3,5,5-trimethylbicyclo[2.2.1]heptan-2-one
Smiles: O=C1[C@H]2C[C@@H]([C@H]1C)C(C2)(C)C
InChi : InChI=1S/C10H16O/c1-6-8-4-7(9(6)11)5-10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8+/m1/s1
InChi Key : InChIKey=ZYDUOFAYEXDGIS-CSMHCCOUSA-N
PubChem ID : 86707
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.697713
Hydrogen bond donor count : 0 Electric dipole moment : 3.353
XLogP : 2.219 VDW volume : 162.957156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.718000
Herb list :
Refrences & Litretures:
  
407.      Journal:'Journal of Chromatography A'      Year:'2006'      Volume:'1102'      Page:'11'      DOI:'10.1016/j.chroma.2005.10.032'      Title:'Improved solvent-free microwave extraction of essential oil from dried Cuminum cyminum L. and Zanthoxylum bungeanum Maxim'
410.      Journal:'Food Chemistry'      Year:'2009'      Volume:'115'      Page:'1114'      DOI:'10.1016/j.foodchem.2008.12.091'      Title:'Extraction of Cuminum cyminum essential oil by combination technology of organic solvent with low boiling point and steam distillation'
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