(7S,8S,9S)-7,8,9,10-Tetrahydrobenzo[Pqr]Tetraphene-7,8,9-Triol

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Formula C20H16O3
IUPAC Name (7s,8s,9s)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol
Molecular Mass 304.339 g·mol−1
Heat of Formation -325.1 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 339.56 Å 3
Surface Area 299.26 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • (7-alpha,8-beta,9-beta)-benzo(a)pyrene- 7,8,9-triol,7,8,9,10-tetrahydro-
  • (7s,8s,9s)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol
  • 7,8,9,10-tetrahydro-7alpha,8beta,9beta-trihydroxy-benzo(a)pyrene
  • 7,8,9,10-tetrahydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • benzo(a)pyrene- 7,8,9-triol,7,8,9,10-tetrahydro-, (7-alpha,8-beta,9-beta)-
CAS Number(s)
  • 61176-59-8
InChIKey GFANZDFKCCJYRF-VDGAXYAQSA-N
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