1-Benzyl-1H-Imidazole-4,5-Dicarboxylic Acid

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Properties Simple | Detailed

Formula C12H10N2O4
IUPAC Name 1-benzylimidazole-4,5-dicarboxylic acid
Molecular Mass 246.219 g·mol−1
Heat of Formation -465.0 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 275.3 Å 3
Surface Area 252.84 Å 2
HOMO Energy -10.15 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(benzyl)imidazole-4,5-dicarboxylic acid
  • 1-benzylimidazole-4,5-dicarboxylic acid
  • 1h-imidazole-4,5-dicarboxylic acid, 1-(phenylmethyl)-
  • an-465/41861758
  • bi-dicarboxylic acid
CAS Number(s)
  • 42190-83-0
InChIKey MMNLMFUDZWLQBY-UHFFFAOYSA-N
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