2-Methyl-5-Nitroimidazol-1-Yl-Acetic Acid

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Properties Simple | Detailed

Formula C6H7N3O4
IUPAC Name 2-(2-methyl-5-nitro-imidazol-1-ium-2-ylium-1-yl)acetic acid
Molecular Mass 185.137 g·mol−1
Heat of Formation -258.7 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 199.95 Å 3
Surface Area 192.5 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2-methyl-5-nitro-imidazol-1-yl)-acetic acid
  • 1h-imidazole-1-acetic acid, 2-methyl-5-nitro-
  • 2-(2-methyl-5-nitro-1-imidazolyl)acetic acid
  • 2-(2-methyl-5-nitro-imidazol-1-yl)acetic acid
  • 2-(2-methyl-5-nitro-imidazol-1-yl)ethanoic acid
  • 2-(2-methyl-5-nitroimidazol-1-yl)acetic acid
  • 2-methyl-5-nitro-1h-imidazole-1-acetic acid
  • 2-methyl-5-nitroimidazol-1-ylacetic acid
  • bas 07867254
CAS Number(s)
  • 1010-93-1
InChIKey RVEGZXNRNWUYKI-UHFFFAOYSA-N
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