(2E)-4-[(2-Nitro-1H-Imidazol-1-Yl)Methoxy]-2-Buten-1-Ol

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Properties Simple | Detailed

Formula C8H11N3O4
IUPAC Name (e)-4-[(2-nitro-4h-imidazol-1-ium-4-id-3-yl)methoxy]but-2-en-1-ol
Molecular Mass 213.191 g·mol−1
Heat of Formation -160.6 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 243.28 Å 3
Surface Area 210.84 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-[(2-nitro-1-imidazolyl)methoxy]but-2-en-1-ol
  • (e)-4-[(2-nitroimidazol-1-yl)methoxy]but-2-en-1-ol
  • 1-(4'-hydroxy-2'-butenoxy)methyl-2-nitroimidazole
  • 2-buten-1-ol, 4-((2-nitro-1h-imidazol-1-yl)methoxy)-
  • 4-((2-nitro-1h-imidazol-1-yl)methoxy)-2-buten-1-ol
  • rk 28
  • rk-28
CAS Number(s)
  • 101179-42-4
  • 93679-10-8
InChIKey OGIXVTVGRBZYJM-OWOJBTEDSA-N
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