Benzo[Pqr]Tetraphen-12-Ylmethanol

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Properties Simple | Detailed

Formula C21H14O
IUPAC Name benzo[a]pyren-12-ylmethanol
Molecular Mass 282.335 g·mol−1
Heat of Formation 139.1 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 327.48 Å 3
Surface Area 290.1 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 12-benzo[h]pyrenylmethanol
  • 12-hydroxymethylbenzo(a)pyrene
  • benzo[h]pyren-12-ylmethanol
CAS Number(s)
  • 94500-43-3
InChIKey QFZVPWWLRDQHEP-UHFFFAOYSA-N
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DOI
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Elements H C O