Benzo[D]Isoxazol-3-Ol

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Properties Simple | Detailed

Formula C7H5NO2
IUPAC Name 1,2-benzoxazol-3-one
Molecular Mass 135.120 g·mol−1
Heat of Formation -34.6 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 148.79 Å 3
Surface Area 154.33 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzisoxazol-3(2h)-one
  • 1,2-benzisoxazol-3-ol (8ci)
  • 1,2-benzisoxazolin-3-one
  • 3-hydroxybenzisoxazole
  • indoxazen-3-one
  • rf 01278
  • sdccgmls-0066198.p001
CAS Number(s)
  • 21725-69-9
InChIKey QLDQYRDCPNBPII-UHFFFAOYSA-N
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