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

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Properties Simple | Detailed

Formula C4H5NO2
IUPAC Name 3-methyl-2h-isoxazol-5-one
Molecular Mass 99.088 g·mol−1
Heat of Formation -148.1 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 113.63 Å 3
Surface Area 126.89 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methyl-2h-1,2-oxazol-5-one
  • 3-methyl-2h-isoxazol-5-one
  • 3-methyl-5-hydroxy-isoxazole
  • 3-methyl-5-isoxazolol
  • 5(2h)-isoxazolone, 3-methyl-
CAS Number(s)
  • 29871-83-8
InChIKey BMPXDMCZKAPJDC-UHFFFAOYSA-N
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