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ScientificNameLabel
Cyclobazzanene
PHCD compound ID : 2883
Chemical Names :
Cyclobazzanene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms:
Smiles: CC1=CC[C@@H]2[C@@]1(C)[C@]1(C)CC[C@@]2(C)CC1
InChi : InChI=1S/C15H24/c1-11-5-6-12-13(2)7-9-14(3,10-8-13)15(11,12)4/h5,12H,6-10H2,1-4H3/t12-,13-,14+,15-/m0/s1
InChi Key : InChIKey=DDNNGFVVQOTKDN-XQLPTFJDSA-N
PubChem ID : 91746714
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.975668
Hydrogen bond donor count : 0 Electric dipole moment : 0.506
XLogP : 6.501 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.456000
Herb list :
Refrences & Litretures:
  
364.      Journal:'Food Chemistry'      Year:'2008'      Volume:'110'      Page:'501'      DOI:'10.1016/j.foodchem.2008.02.018'      Title:'Comparative essential oil composition of flowers, leaves and stems of basil (Ocimum basilicum L.) used as herb'
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