1-Pyrenol

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Properties Simple | Detailed

Formula C16H10O
IUPAC Name pyren-1-ol
Molecular Mass 218.250 g·mol−1
Heat of Formation 76.3 ± 16.7 kJ·mol−1
Dipole Moment 0.95 ± 1.08 D
Volume 249.74 Å 3
Surface Area 230.65 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-hydroxypyrene
  • 1-pyrenol (8ci)(9ci)
  • 3-hydroxypyrene
CAS Number(s)
  • 5315-79-7
  • 63021-84-1
InChIKey BIJNHUAPTJVVNQ-UHFFFAOYSA-N
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DOI
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Elements H C O