6-Hydroxybenzo[A]Pyrene

Molecule SVG Image

Properties Simple | Detailed

Formula C20H12O
IUPAC Name benzo[b]pyren-6-ol
Molecular Mass 268.309 g·mol−1
Heat of Formation 152.0 ± 16.7 kJ·mol−1
Dipole Moment 0.63 ± 1.08 D
Volume 303.21 Å 3
Surface Area 272.08 Å 2
HOMO Energy -7.93 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry Cs
Synonyms
  • 5-hydroxy-3,4-benzopyrene
  • 6-benzo[b]pyrenol
  • 6-hydroxybenzo(a)pyrene
  • benzo(a)pyren-6-ol
  • benzo(a)pyrene, 6-hydroxy-
  • benzo(a)pyrenol
  • benzo[a]pyren-6-ol
CAS Number(s)
  • 63455-19-6
  • 64811-02-5
  • 33953-73-0
InChIKey MGTMTTGZMPDIQS-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O