(4R,5R)-1-Nitro-4,5-Dihydro-4,5-Pyrenediol

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Properties Simple | Detailed

Formula C16H11NO4
IUPAC Name (4r,5r)-1-nitro-4,5-dihydropyrene-4,5-diol
Molecular Mass 281.263 g·mol−1
Heat of Formation -167.1 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 302.15 Å 3
Surface Area 266.41 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 4,5-pyrenediol, 4,5-dihydro-1-nitro-, (4r,5r)-rel-
  • 4,5-pyrenediol, 4,5-dihydro-1-nitro-, trans-
  • trans-4,5-dihydro-1-nitro-4,5-pyrenediol
  • trans-4,5-dihydro-4,5-dihydroxy-1-nitropyrene
CAS Number(s)
  • 86674-50-2
InChIKey OLIXQTVIIHUWKL-HZPDHXFCSA-N
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