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[3.3.3] Propellane
PHCD compound ID : 4083
Chemical Names :
[3.3.3] Propellane
Molecular Formula : C11H18
Molecular Weight : 150.140851
More Details :
Names & Synonyms:
Smiles: C1CC23C(C1)(CCC3)CCC2
InChi : InChI=1S/C11H18/c1-4-10-6-2-7-11(10,5-1)9-3-8-10/h1-9H2/t10-,11+
InChi Key : InChIKey=IIQBIJUPWSIKEO-PHIMTYICSA-N
PubChem ID : 13552505
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.641024
Hydrogen bond donor count : 0 Electric dipole moment : 0.000
XLogP : 5.531 VDW volume : 161.742913
Molecular weight : 150.140851 HOMO-LUMO gap : 14.137000
Herb list :
Refrences & Litretures:
  
560.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'213'      DOI:'10.1080/0972060X.2012.10644038'      Title:'Chemical Composition of Essential Oil of Aerial Parts of Cichorium intybus L. from Iran'
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