Cas no 52351-96-9 (6-methoxybenzo[pqr]tetraphene)

6-methoxybenzo[pqr]tetraphene structure
6-methoxybenzo[pqr]tetraphene structure
Product Name:6-methoxybenzo[pqr]tetraphene
CAS No:52351-96-9
MF:C21H14O
MW:282.335265636444
CID:1577156
PubChem ID:40327
Update Time:2025-04-21

6-methoxybenzo[pqr]tetraphene Chemical and Physical Properties

Names and Identifiers

    • 6-methoxybenzo[pqr]tetraphene
    • benzo[a]pyrene, 6-methoxy-
    • benzo[pqr]tetraphen-6-yl methyl ether
    • 6-methoxybenzo[a]pyrene
    • 6-Methoxy-benzo[def]chrysene
    • CHEMBL353009
    • BRN 2468269
    • DTXSID10200377
    • SCHEMBL16335901
    • 52351-96-9
    • BENZO(a)PYRENE, 6-METHOXY-
    • 6-Methoxybenzo(a)pyrene
    • Inchi: 1S/C21H14O/c1-22-21-17-8-3-2-7-15(17)16-11-9-13-5-4-6-14-10-12-18(21)20(16)19(13)14/h2-12H,1H3
    • InChI Key: OSXVWSFKNYMAPX-UHFFFAOYSA-N
    • SMILES: O(C)C1C2C=CC=CC=2C2=CC=C3C=CC=C4C=CC=1C2=C34

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
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