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ScientificNameLabel
Trans-3-Caren-2-ol
PHCD compound ID : 3111
Chemical Names :
Trans-3-Caren-2-ol
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 4,7,7-trimethylbicyclo[4.1.0]hept-3-en-5-ol , 4,7,7-trimethyl-5-bicyclo[4.1.0]hept-3-enol
Smiles: CC1=CC[C@@H]2[C@H]([C@@H]1O)C2(C)C
InChi : InChI=1S/C10H16O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8-,9-/m1/s1
InChi Key : InChIKey=YCAQPZXDWPHYBD-IWSPIJDZSA-N
PubChem ID : 576906
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.468950
Hydrogen bond donor count : 1 Electric dipole moment : 1.986
XLogP : 1.94 VDW volume : 162.957156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.446000
Herb list :
Refrences & Litretures:
  
414.      Journal:'Veterinary Research Forum'      Year:'2011'      Volume:'2'      Page:'87'      DOI:''      Title:'Effects of Bunium persicum (Boiss.) Essential Oil on the Contractile Responses of Smooth Muscle (An in vitro Study)'
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