Benzo(A)Pyrene-3,6-Diol

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Properties Simple | Detailed

Formula C20H12O2
IUPAC Name benzo[a]pyrene-3,6-diol
Molecular Mass 284.308 g·mol−1
Heat of Formation -32.0 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 314.44 Å 3
Surface Area 280.49 Å 2
HOMO Energy -7.75 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry Cs
Synonyms
  • 3,6-dihydroxybenzo(a)pyrene
  • benzo(a)pyrene-3,6-quinol
  • benzo[b]pyrene-3,6-diol
  • bp-3,6-quinol
CAS Number(s)
  • 63148-10-7
InChIKey MNYTULBCYDHGOF-UHFFFAOYSA-N
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