2-Phenyl-1H-Imidazole-4,5-Dicarboxylic Acid

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Properties Simple | Detailed

Formula C11H8N2O4
IUPAC Name 2-phenylimidazol-1-ium-4-ylium-4,5-dicarboxylic acid
Molecular Mass 232.192 g·mol−1
Heat of Formation -464.7 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 252.36 Å 3
Surface Area 244.27 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 1.78 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-4,5-dicarboxylic acid, 2-phenyl-
  • cbdive_003252
  • oprea1_190184
CAS Number(s)
  • 888-60-8
InChIKey GTYWKHXMYZVFSU-UHFFFAOYSA-N
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