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8-Methylene-tricyclo[3.2.1.0(2,4)]octane
PHCD compound ID : 1972
Chemical Names :
8-Methylene-tricyclo[3.2.1.0(2,4)]octane
Molecular Formula : C9H12
Molecular Weight : 120.0939
More Details :
Names & Synonyms:
Smiles: C=C1[C@@H]2CC[C@H]1[C@H]1[C@@H]2C1
InChi : InChI=1S/C9H12/c1-5-6-2-3-7(5)9-4-8(6)9/h6-9H,1-4H2/t6-,7+,8+,9-
InChi Key : InChIKey=SZEDHOXKNCVHIL-OJOKCITNSA-N
PubChem ID : 142247
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 10.055374
Hydrogen bond donor count : 0 Electric dipole moment : 0.799
XLogP : 3.211 VDW volume : 124.514486
Molecular weight : 120.0939 HOMO-LUMO gap : 11.216000
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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