1H-Imidazole-4-Carbaldehyde

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Properties Simple | Detailed

Formula C4H4N2O
IUPAC Name imidazol-3-ium-4-ylium-4-carbaldehyde
Molecular Mass 96.087 g·mol−1
Heat of Formation 26.0 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 112.79 Å 3
Surface Area 124.97 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-imidazole-4-carboxaldehyde
  • 3h-imidazole-4-carbaldehyde
  • 3h-imidazole-4-carboxaldehyde
  • 4(5)-imidazolecarboxaldehyde
  • ab-131/25126048
  • cc 08804
  • imidazole c-4(5) deriv. 6
  • imidazole-4(1h)-carboxaldehyde
CAS Number(s)
  • 3034-50-2
InChIKey ZQEXIXXJFSQPNA-UHFFFAOYSA-N
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