3-Nitro-1-Pyrenol

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Properties Simple | Detailed

Formula C16H9NO3
IUPAC Name 3-nitropyren-1-ol
Molecular Mass 263.248 g·mol−1
Heat of Formation 72.3 ± 16.7 kJ·mol−1
Dipole Moment 6.49 ± 1.08 D
Volume 281.81 Å 3
Surface Area 255.48 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
Synonyms
  • 1-nitro-3-hydroxypyrene
  • 1-nitropyren-3-ol
  • 1-nitropyrene-3-ol
  • 1-pyrenol, 3-nitro-
  • 3-hydroxy-1-nitropyrene
  • pyren-3-ol, 1-nitro-
CAS Number(s)
  • 86674-49-9
InChIKey BOQCPFGCIYLAGN-UHFFFAOYSA-N
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