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ScientificNameLabel
2-Methylisoborneol
PHCD compound ID : 1970
Chemical Names :
2-Methylisoborneol
Molecular Formula : C11H20O1
Molecular Weight : 168.151415
More Details :
Names & Synonyms: 1,2,7,7-tetramethylnorbornan-2-ol , 3,4,7,7-tetramethyl-3-bicyclo[2.2.1]heptanol , 3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol
Smiles: C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O
InChi : InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10-,11-/m1/s1
InChi Key : InChIKey=LFYXNXGVLGKVCJ-FBIMIBRVSA-N
PubChem ID : 16913
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.125212
Hydrogen bond donor count : 1 Electric dipole moment : 1.497
XLogP : 3.151 VDW volume : 182.889599
Molecular weight : 168.151415 HOMO-LUMO gap : 13.239000
Herb list :
Refrences & Litretures:
  
233.      Journal:'Arabian Journal of Chemistry'      Year:'2013'      Volume:''      Page:''      DOI:'10.1016/j.arabjc.2013.08.015'      Title:'Chemical composition analysis of the essential oil of Solanumn nigrum L. by HS/SPME method and calculation of the biochemical coe?cients of the components'
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