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Bicyclo[4.2.0]oct-4-ene-7.7-dicarbonitrile.4.8.8-trimethyl-.(cis)-
PHCD compound ID : 3769
Chemical Names :
Bicyclo[4.2.0]oct-4-ene-7.7-dicarbonitrile.4.8.8-trimethyl-.(cis)-
Molecular Formula : C13H16N2
Molecular Weight : 200.131349
More Details :
Names & Synonyms: 4,8,8-trimethylbicyclo[4.2.0]oct-4-ene-7,7-dicarbonitrile
Smiles: N#CC1(C#N)[C@H]2C=C(C)CC[C@H]2C1(C)C
InChi : InChI=1S/C13H16N2/c1-9-4-5-10-11(6-9)13(7-14,8-15)12(10,2)3/h6,10-11H,4-5H2,1-3H3/t10-,11+/m1/s1
InChi Key : InChIKey=OAOMSCWNIRQVRP-MNOVXSKESA-N
PubChem ID : 565012
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.753395
Hydrogen bond donor count : 0 Electric dipole moment : 5.647
XLogP : 2.966 VDW volume : 217.502568
Molecular weight : 200.131349 HOMO-LUMO gap : 10.283000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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