Cas no 77508-19-1 (benzo[e]pyren-10-ol)

benzo[e]pyren-10-ol structure
benzo[e]pyren-10-ol structure
Product Name:benzo[e]pyren-10-ol
CAS No:77508-19-1
MF:C20H12O
MW:268.308685302734
CID:1787770
PubChem ID:186962
Update Time:2025-04-21

benzo[e]pyren-10-ol Chemical and Physical Properties

Names and Identifiers

    • benzo[e]pyren-10-ol
    • 77508-19-1
    • Benzo(e)pyren-10-ol
    • DTXSID10228213
    • Inchi: 1S/C20H12O/c21-14-9-10-15-16-5-1-3-12-7-8-13-4-2-6-17(18(15)11-14)20(13)19(12)16/h1-11,21H
    • InChI Key: LLBOFIJIBWECNQ-UHFFFAOYSA-N
    • SMILES: OC1C=CC2=C(C=1)C1=CC=CC3=CC=C4C=CC=C2C4=C13

Computed Properties

  • Exact Mass: 268.088815002g/mol
  • Monoisotopic Mass: 268.088815002g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 405
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.4
  • Topological Polar Surface Area: 20.2?2
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