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

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Properties Simple | Detailed

Formula C20H16O3
IUPAC Name (7r,8r,9r)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol
Molecular Mass 304.339 g·mol−1
Heat of Formation -330.7 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 346.26 Å 3
Surface Area 298.5 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-7s,8r,9r-trihydroxy-7,8,9,10-tetrahydro benzo[a]pyrene
  • (7r,8r,9r)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol
  • 1,2,3-trihydroxy-1,2,3,4-tetrahydrobenzo[a]pyrene
  • 7s,8r,9r-trihydroxy-7,8,9,10-tetrahydro benzo[a]pyrene
  • bap
InChIKey GFANZDFKCCJYRF-NSISKUIASA-N
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