1-(1-Nitro-1H-Pyrrol-2-Yl)Ethanone

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Properties Simple | Detailed

Formula C6H6N2O3
IUPAC Name 1-(1-nitropyrrol-1-ium-2-ylium-2-yl)ethanone
Molecular Mass 154.123 g·mol−1
Heat of Formation 4.0 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 168.98 Å 3
Surface Area 170.3 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(1-nitro-2-pyrrolyl)ethanone
  • 1-(1-nitropyrrol-2-yl)ethanone
  • 1-nitro-2-acetylpyrrole
  • ethanone, 1-(1-nitro-1h-pyrrol-2-yl)-
CAS Number(s)
  • 158366-45-1
InChIKey IAWKNFOCXFSSLA-UHFFFAOYSA-N
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