6-Nitropiperonal

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Properties Simple | Detailed

Formula C8H5NO5
IUPAC Name 6-nitro-1,3-benzodioxole-5-carbaldehyde
Molecular Mass 195.129 g·mol−1
Heat of Formation -284.4 ± 16.7 kJ·mol−1
Dipole Moment 6.11 ± 1.08 D
Volume 196.96 Å 3
Surface Area 193.03 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy 1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-benzodioxole, 5-formyl-6-nitro-
  • 1,3-benzodioxole-5-carboxaldehyde, 6-nitro-
  • 3,4-(methylenedioxy)-6-nitrobenzaldehyde
  • 6-nitro-1,3-benzodioxole-5-carboxaldehyde
  • ae-641/30608017
  • fr-0866
  • oprea1_765279
  • piperonal, 6-nitro-
CAS Number(s)
  • 712-97-0
InChIKey NRZWECORTTWSEF-UHFFFAOYSA-N
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