(1-Methyl-2-Nitro-1H-Imidazol-5-Yl)Methanol

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Properties Simple | Detailed

Formula C5H7N3O3
IUPAC Name (3-methyl-2-nitro-imidazol-3-ium-4-ylium-4-yl)methanol
Molecular Mass 157.127 g·mol−1
Heat of Formation -35.2 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 172.01 Å 3
Surface Area 172.56 Å 2
HOMO Energy -10.17 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
Synonyms
  • (3-methyl-2-nitro-4-imidazolyl)methanol
  • (3-methyl-2-nitro-imidazol-4-yl)methanol
  • (3-methyl-2-nitroimidazol-4-yl)methanol
  • 1-methyl-2-hydroxymethyl-5-nitroimidazole
  • 1-methyl-5-nitro-1h-imidazole-2-methanol
  • 2-hydroxymethyl-1-methyl-5-nitroimidazole
  • imidazole-2-methanol, 1-methyl-5-nitro-
CAS Number(s)
  • 39070-14-9
  • 936-05-0
InChIKey WXSSUDRHAJTESR-UHFFFAOYSA-N
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