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10-endo-Hydroxy-10-exo-methyl-anti-tricyclo[4.2.1.1(2.5)]decan-9-one
PHCD compound ID : 3754
Chemical Names :
10-endo-Hydroxy-10-exo-methyl-anti-tricyclo[4.2.1.1(2.5)]decan-9-one
Molecular Formula : C11H16O2
Molecular Weight : 180.11503
More Details :
Names & Synonyms:
Smiles: O=C1[C@@H]2CC[C@H]1[C@H]1[C@@]([C@@H]2CC1)(C)O
InChi : InChI=1S/C11H16O2/c1-11(13)8-4-5-9(11)7-3-2-6(8)10(7)12/h6-9,13H,2-5H2,1H3/t6-,7+,8-,9+,11+
InChi Key : InChIKey=MEXYMMRCPKJBBC-LNRQSERFSA-N
PubChem ID :
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.590570
Hydrogen bond donor count : 1 Electric dipole moment : 3.747
XLogP : 0.596 VDW volume : 176.686908
Molecular weight : 180.11503 HOMO-LUMO gap : 10.733000
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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