3H-Indol-3-One 1-Oxide

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Properties Simple | Detailed

Formula C8H5NO2
IUPAC Name 1-oxidoindol-1-ium-3-one
Molecular Mass 147.131 g·mol−1
Heat of Formation 88.0 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 163.43 Å 3
Surface Area 166.03 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 1.20 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-oxido-3-indol-1-iumone
  • 3h-indol-3-one, 1-oxide
  • 3h-indol-3-one-1-oxide
  • isatogen
CAS Number(s)
  • 5814-98-2
InChIKey PVRXVYYSSLVFEJ-UHFFFAOYSA-N
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