Cas no 83136-28-1 (3-methoxybenzo[m]tetraphene)

3-methoxybenzo[m]tetraphene structure
3-methoxybenzo[m]tetraphene structure
Product Name:3-methoxybenzo[m]tetraphene
CAS No:83136-28-1
MF:C23H16O
MW:308.372546195984
CID:1807278
PubChem ID:179681
Update Time:2025-04-21

3-methoxybenzo[m]tetraphene Chemical and Physical Properties

Names and Identifiers

    • 3-methoxybenzo[m]tetraphene
    • Dibenz(a,j)anthracene, 3-methoxy-
    • DTXSID60232188
    • 83136-28-1
    • Inchi: 1S/C23H16O/c1-24-19-10-11-21-18(13-19)9-8-17-12-16-7-6-15-4-2-3-5-20(15)22(16)14-23(17)21/h2-14H,1H3
    • InChI Key: NLGUPUWPVBAGDJ-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC2=C(C=1)C=CC1=CC3C=CC4C=CC=CC=4C=3C=C12

Computed Properties

  • Exact Mass: 308.120115130g/mol
  • Monoisotopic Mass: 308.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 445
  • 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: 7.2
  • Topological Polar Surface Area: 9.2?2
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