3,4-Methylenedioxy-β-Nitrostyrene

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Properties Simple | Detailed

Formula C9H7NO4
IUPAC Name 5-[(e)-2-nitrovinyl]-1,3-benzodioxole
Molecular Mass 193.156 g·mol−1
Heat of Formation -130.8 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 208.8 Å 3
Surface Area 208.82 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 1.47 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4-methylenedioxy-.omega.-nitrostyrene
  • 5-(2-nitroethenyl)-1,3-benzodioxole
  • 5-(2-nitrovinyl)-1,3-benzodioxole
  • 5-[(e)-2-nitroethenyl]-1,3-benzodioxole
  • 5-[(e)-2-nitrovinyl]-1,3-benzodioxole
  • fr-0420
  • hg~bahaenisdfue[yt{zx@bbafp
  • syk inhibitor iii
InChIKey KFLWBZPSJQPRDD-ONEGZZNKSA-N
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