3-(2-Nitro-1H-Imidazol-1-Yl)Propanoic Acid

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Properties Simple | Detailed

Formula C6H7N3O4
IUPAC Name 3-(2-nitroimidazol-1-ium-2-ylium-1-yl)propanoic acid
Molecular Mass 185.137 g·mol−1
Heat of Formation -234.3 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 198.72 Å 3
Surface Area 196.91 Å 2
HOMO Energy -10.46 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-l-propanoic acid, 2-nitro-
  • 3-(2-nitro-1-imidazolyl)propanoic acid
  • 3-(2-nitroimidazol-1-yl)propanoic acid
  • 3-(2-nitroimidazol-1-yl)propionic acid
  • ro 31-0258
  • ro-31-0258
CAS Number(s)
  • 97762-32-8
InChIKey REMHZMMYLASIBY-UHFFFAOYSA-N
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