1,2-Oxazol-5(2H)-One

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Properties Simple | Detailed

Formula C3H3NO2
IUPAC Name 2h-isoxazol-5-one
Molecular Mass 85.061 g·mol−1
Heat of Formation -101.3 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 92.59 Å 3
Surface Area 107.57 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1,2-oxazol-5-one
  • 2h-isoxazol-5-one
  • 5(2h)-isoxazolone
  • isoxazolin-5-one
CAS Number(s)
  • 43228-53-1
InChIKey HZVPJXOQDCOJRJ-UHFFFAOYSA-N
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