3-Hydroxybenzo(A)Pyrene

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Properties Simple | Detailed

Formula C20H12O
IUPAC Name benzo[a]pyren-3-ol
Molecular Mass 268.309 g·mol−1
Heat of Formation 150.9 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 305.15 Å 3
Surface Area 274.52 Å 2
HOMO Energy -7.96 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-benzo[h]pyrenol
  • 3-hydroxybenzo[a]pyrene
  • 8-hydroxy-3,4-benzpyrene
  • benzo(a)pyren-3-ol
  • benzo(a)pyrene, 3-hydroxy-
  • benzo[h]pyren-3-ol
  • bp-3-hydroxy
CAS Number(s)
  • 13345-21-6
InChIKey SPUUWWRWIAEPDB-UHFFFAOYSA-N
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