2-[(2-Nitro-1H-Imidazol-1-Yl)Methoxy]-1,3-Propanediol

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Properties Simple | Detailed

Formula C7H11N3O5
IUPAC Name 2-[(2-nitroimidazol-1-yl)methoxy]propane-1,3-diol
Molecular Mass 217.179 g·mol−1
Heat of Formation -388.6 ± 16.7 kJ·mol−1
Dipole Moment 7.92 ± 1.08 D
Volume 241.74 Å 3
Surface Area 226.01 Å 2
HOMO Energy -10.37 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-propanediol, 2-((2-nitro-1h-imidazol-1-yl)methoxy)-
  • 2-((2-nitro-1h-imidazol-1-yl)methoxy)-1,3-propanediol
  • 2-[(2-nitro-1-imidazolyl)methoxy]propane-1,3-diol
  • rp 170
  • rp-170
CAS Number(s)
  • 120398-89-2
InChIKey DWSFCAKOSWFTCK-UHFFFAOYSA-N
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