Cas no 88054-37-9 (Benz[a]anthracene-4-methanol)

Benz[a]anthracene-4-methanol structure
Benz[a]anthracene-4-methanol structure
Product Name:Benz[a]anthracene-4-methanol
CAS No:88054-37-9
MF:C19H14O
MW:258.313865184784
CID:647048
PubChem ID:53740769
Update Time:2025-04-19

Benz[a]anthracene-4-methanol Chemical and Physical Properties

Names and Identifiers

    • Benz[a]anthracene-4-methanol
    • benzo[a]anthracen-4-ylmethanol
    • DTXSID00706333
    • (TETRAPHEN-4-YL)METHANOL
    • 88054-37-9
    • Inchi: 1S/C19H14O/c20-12-16-6-3-7-18-17(16)9-8-15-10-13-4-1-2-5-14(13)11-19(15)18/h1-11,20H,12H2
    • InChI Key: CUJUNLSLJCNWCY-UHFFFAOYSA-N
    • SMILES: OCC1=CC=CC2=C1C=CC1=CC3C=CC=CC=3C=C21

Computed Properties

  • Exact Mass: 258.104465066g/mol
  • Monoisotopic Mass: 258.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 1
  • Complexity: 339
  • 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: 4.9
  • Topological Polar Surface Area: 20.2?2
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