1-Methyl-1H-Imidazole-5-Carbaldehyde

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Properties Simple | Detailed

Formula C5H6N2O
IUPAC Name 3-methyl-2h-imidazol-3-ium-2-ylium-4-carbaldehyde
Molecular Mass 110.114 g·mol−1
Heat of Formation 20.0 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 135.64 Å 3
Surface Area 142.92 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-methyl-1h-imidazole-5-carboxaldehyde
  • 1-methyl-5-imidazolecarboxaldehyde
  • 1-methylimidazole-5-carboxaldehyde
  • 3-methyl-4-imidazolecarboxaldehyde
  • 3-methylimidazole-4-carbaldehyde
CAS Number(s)
  • 39021-62-0
InChIKey BNYKZFOZWZMEJD-UHFFFAOYSA-N
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