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ScientificNameLabel
3-Thujanol
PHCD compound ID : 3055
Chemical Names :
3-Thujanol
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: 5-isopropyl-2-methyl-bicyclo[3.1.0]hexan-1-ol , 2-methyl-5-propan-2-yl-1-bicyclo[3.1.0]hexanol , 2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-1-ol , 2-methyl-5-propan-2-yl-bicyclo[3.1.0]hexan-1-ol
Smiles: CC([C@]12CC[C@@H]([C@@]2(C1)O)C)C
InChi : InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(9,11)6-9/h7-8,11H,4-6H2,1-3H3/t8-,9-,10+/m0/s1
InChi Key : InChIKey=IKXCCPWTSIENLL-LPEHRKFASA-N
PubChem ID : 527259
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.920320
Hydrogen bond donor count : 1 Electric dipole moment : 1.590
XLogP : 2.545 VDW volume : 165.593614
Molecular weight : 154.135765 HOMO-LUMO gap : 12.396000
Herb list :
Refrences & Litretures:
  
395.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2009'      Volume:'12'      Page:'111'      DOI:'10.1080/0972060X.2009.10643700'      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'
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