3-[2,3-Dihydro-2,2-Dimethylbenzofuran-7-Yl]-5-Methoxy-1,3,4-Oxadiazol-2(3H)-One

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Properties Simple | Detailed

Formula C13H14N2O4
IUPAC Name 3-(2,2-dimethyl-3h-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one
Molecular Mass 262.261 g·mol−1
Heat of Formation -378.1 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 301.86 Å 3
Surface Area 272.83 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,4-oxadiazol-2(3h)-one, 3-(2,3-dihydro-2,2-dimethyl-7-benzofuranyl)-5-methoxy-
  • 3-(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2(3h)-one
  • 3-(2,2-dimethyl-3h-benzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2-one
  • 3-(2,3-dihydro-2,2-dimethylbenzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2(3h)-one
  • dbox
CAS Number(s)
  • 82277-78-9
InChIKey WTUKKAOMXJCRLH-UHFFFAOYSA-N
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