Cas no 50803-88-8 (Pyrene, 4-methoxy-)

Pyrene, 4-methoxy- structure
Pyrene, 4-methoxy- structure
Product Name:Pyrene, 4-methoxy-
CAS No:50803-88-8
MF:C17H12O
MW:232.276584625244
CID:364032
PubChem ID:12453367
Update Time:2025-04-19

Pyrene, 4-methoxy- Chemical and Physical Properties

Names and Identifiers

    • Pyrene, 4-methoxy-
    • 4-methoxypyrene
    • DTXSID50498897
    • SCHEMBL16241709
    • 50803-88-8
    • Inchi： 1S/C17H12O/c1-18-15-10-13-6-2-4-11-8-9-12-5-3-7-14(15)17(12)16(11)13/h2-10H,1H3
    • InChI Key： LAMMJRISABQFNY-UHFFFAOYSA-N
    • SMILES： O(C)C1C=C2C=CC=C3C=CC4=CC=CC=1C4=C23

Computed Properties

  • Exact Mass: 232.08886
  • Monoisotopic Mass: 232.088815002g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 313
  • 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
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23

Pyrene, 4-methoxy- Related Literature

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