3-Acetylpyridine 1-Oxide

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Properties Simple | Detailed

Formula C7H7NO2
IUPAC Name 1-(1-oxidopyridin-1-ium-3-yl)ethanone
Molecular Mass 137.136 g·mol−1
Heat of Formation -70.2 ± 16.7 kJ·mol−1
Dipole Moment 0.82 ± 1.08 D
Volume 161.47 Å 3
Surface Area 165.42 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 1.67 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-(1-oxido-3-pyridin-1-iumyl)ethanone
  • 1-(1-oxidopyridin-1-ium-3-yl)ethanone
  • 1-(3-pyridinyl-1-oxide)ethanone
  • 3-acetylpyridine n-oxide
  • aj-333/36120037
  • ethanone, 1-(3-pyridinyl)-, n-oxide
CAS Number(s)
  • 14188-94-4
InChIKey AZFMFGIMDGBJRR-UHFFFAOYSA-N
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