2-Pyridinecarbaldehyde 1-Oxide

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Properties Simple | Detailed

Formula C6H5NO2
IUPAC Name 1-oxidopiperidine-2,3,4,5,6-pentaide-2-carbaldehyde
Molecular Mass 123.109 g·mol−1
Heat of Formation -20.3 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 139.3 Å 3
Surface Area 146.86 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-oxido-2-pyridin-1-iumcarboxaldehyde
  • 1-oxidopyridin-1-ium-2-carbaldehyde
  • 2-pyridinecarboxaldehyde n-oxide
  • 2-pyridinecarboxaldehyde, n-oxide
InChIKey PTXWAWIYGFDGMU-UHFFFAOYSA-N
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