Cas no 78636-32-5 (benzo[pqr]tetraphen-7-ylmethanol)

benzo[pqr]tetraphen-7-ylmethanol structure
78636-32-5 structure
Product Name:benzo[pqr]tetraphen-7-ylmethanol
CAS No:78636-32-5
MF:C21H14O
MW:282.335265636444
CID:1796220
PubChem ID:186985
Update Time:2025-04-21

benzo[pqr]tetraphen-7-ylmethanol Chemical and Physical Properties

Names and Identifiers

    • benzo[pqr]tetraphen-7-ylmethanol
    • DTXSID30999933
    • Benzo(a)pyren-7-ylmethanol
    • (Benzo[pqr]tetraphen-7-yl)methanol
    • 78636-32-5
    • Inchi: 1S/C21H14O/c22-12-16-5-2-6-17-18-10-9-14-4-1-3-13-7-8-15(11-19(16)17)21(18)20(13)14/h1-11,22H,12H2
    • InChI Key: AZFVSUVVTFUOGI-UHFFFAOYSA-N
    • SMILES: OCC1=CC=CC2=C1C=C1C=CC3=CC=CC4C=CC2=C1C=43

Computed Properties

  • Exact Mass: 282.104465066g/mol
  • Monoisotopic Mass: 282.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 1
  • Complexity: 418
  • 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: 5.5
  • Topological Polar Surface Area: 20.2?2
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