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ScientificNameLabel
trans-1-Cinnamoylimidazole
PHCD compound ID : 3752
Chemical Names :
trans-1-Cinnamoylimidazole
Molecular Formula : C12H10N2O1
Molecular Weight : 198.079313
More Details :
Names & Synonyms: (E)-1-imidazol-1-yl-3-phenyl-prop-2-en-1-one , (E)-1-(1-imidazolyl)-3-phenyl-2-propen-1-one , (E)-1-imidazol-1-yl-3-phenylprop-2-en-1-one
Smiles: O=C(n1cncc1)/C=C/c1ccccc1
InChi : InChI=1S/C12H10N2O/c15-12(14-9-8-13-10-14)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+
InChi Key : InChIKey=XVGXMXZUJNAGFZ-VOTSOKGWSA-N
PubChem ID : 5357650
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.789519
Hydrogen bond donor count : 0 Electric dipole moment : 6.227
XLogP : 1.3 VDW volume : 181.923893
Molecular weight : 198.079313 HOMO-LUMO gap : 8.504000
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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