Cas no 56182-99-1 (Benzo[a]pyrene,4-methoxy- (9CI))

Benzo[a]pyrene,4-methoxy- (9CI) structure
56182-99-1 structure
Product Name:Benzo[a]pyrene,4-methoxy- (9CI)
CAS No:56182-99-1
MF:C21H14O
MW:282.335265636444
CID:378965
PubChem ID:92049
Update Time:2025-04-19

Benzo[a]pyrene,4-methoxy- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzo[a]pyrene,4-methoxy- (9CI)
    • 4-Methoxybenzo(a)pyrene
    • 4-methoxybenzo[a]pyrene
    • Benzo(a)pyrene, 4-methoxy-
    • 56182-99-1
    • DTXSID80204726
    • Inchi： 1S/C21H14O/c1-22-19-12-15-11-14-5-2-3-7-16(14)17-10-9-13-6-4-8-18(19)20(13)21(15)17/h2-12H,1H3
    • InChI Key： CNVYLULNAHQNNC-UHFFFAOYSA-N
    • SMILES： O(C)C1=CC2=CC3C=CC=CC=3C3=CC=C4C=CC=C1C4=C32

Computed Properties

  • Exact Mass: 282.10452
  • Monoisotopic Mass: 282.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • 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: 6.3
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23

Benzo[a]pyrene,4-methoxy- (9CI) Related Literature

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