1,3-Benzodioxole

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Properties Simple | Detailed

Formula C7H6O2
IUPAC Name 1,3-benzodioxole
Molecular Mass 122.121 g·mol−1
Heat of Formation -161.9 ± 16.7 kJ·mol−1
Dipole Moment 0.18 ± 1.08 D
Volume 138.54 Å 3
Surface Area 146.23 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C2v
Synonyms
  • (methylenedioxy)benzene
  • 1,2-(methylenedioxy)benzene
  • 1,2-methylenedioxybenzene
  • 1,3-benzodioxolane
  • 1,3-dioxaindan
  • 1,3-dioxindan
  • 2h-1,3-benzodioxole
  • 3,4-methylenedioxybenzene
  • benzene, 1,2-(methylenebis(oxy))-
  • benzene, 1,2-(methylenedioxy)-
  • benzene, 1,2-[methylenebis(oxy)]-
  • benzene, 1,2-methylenedioxy-
  • benzodioxole
  • fr-0219
  • ghl.pd_mitscher_leg0.1027
  • methylenedioxybenzene
  • o-(methylenedioxy)benzene
  • o-methylenedioxybenzene
  • sb 00944
CAS Number(s)
  • 274-09-9
InChIKey FTNJQNQLEGKTGD-UHFFFAOYSA-N
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