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ScientificNameLabel
1H-Imidazole-4-carboxylic acid
PHCD compound ID : 3798
Chemical Names :
1H-Imidazole-4-carboxylic acid
Molecular Formula : C4H4N2O2
Molecular Weight : 112.027277
More Details :
Names & Synonyms: 1H-imidazole-5-carboxylic acid
Smiles: OC(=O)c1cnc[nH]1
InChi : InChI=1S/C4H4N2O2/c7-4(8)3-1-5-2-6-3/h1-2H,(H,5,6)(H,7,8)
InChi Key : InChIKey=NKWCGTOZTHZDHB-UHFFFAOYSA-N
PubChem ID : 14080
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.213507
Hydrogen bond donor count : 2 Electric dipole moment : 1.927
XLogP : -0.41 VDW volume : 86.148536
Molecular weight : 112.027277 HOMO-LUMO gap : 9.504000
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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