benzo(a)pyrene 7,8-dihydrodiol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 64
Total Number of Articles : 86
PubChem 25892
Molecular Formula

C20H14O2

SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(C5O)O)C=C2

InChI

InChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H

synonyms
  • 13345-25-0
  • Benzo(a)pyrene 7,8-dihydrodiol
  • Benzo(a)pyrene-7,8-dihydrodiol
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Properties
Property Value
MW 286.3 g/mol
HBD 2
HBA 2
Rotatable Bond Count 0
Exact Mass 286.099379685 g/mol
Monoisotopic Mass 286.099379685 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 472
xlogp 3.9
Topological Polar Surface Area 40.5