Benzo[Pqr]Tetraphen-6-Ylmethanol

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Properties Simple | Detailed

Formula C21H14O
IUPAC Name benzo[b]pyren-6-ylmethanol
Molecular Mass 282.335 g·mol−1
Heat of Formation 166.3 ± 16.7 kJ·mol−1
Dipole Moment 1.88 ± 1.08 D
Volume 325.53 Å 3
Surface Area 287.51 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(hydroxymethyl)benzo(a)pyrene
  • 6-benzo[b]pyrenylmethanol
  • 6-hydroxymethylbenzo(a)pyrene
  • benzo(a)pyrene, 6-hydroxymethyl-
  • benzo(a)pyrene-6-methanol
CAS Number(s)
  • 21247-98-3
InChIKey FJQLVOHCPDYIFE-UHFFFAOYSA-N
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