Cas no 20600-72-0 (9,10-Anthracenedione, 1-(2-methylphenyl)-)

9,10-Anthracenedione, 1-(2-methylphenyl)- structure
20600-72-0 structure
Product Name:9,10-Anthracenedione, 1-(2-methylphenyl)-
CAS No:20600-72-0
MF:C21H14O2
MW:298.334665775299
CID:1394734
PubChem ID:13007500
Update Time:2025-04-20

9,10-Anthracenedione, 1-(2-methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 9,10-Anthracenedione, 1-(2-methylphenyl)-
    • 1-(2-methylphenyl)anthracene-9,10-dione
    • 1-(o-Tolyl)anthracene-9,10-dione
    • DB-353880
    • tolylanthraquinone
    • 1-(2-Methylphenyl)-9,10-anthracenedione
    • DTXSID50514889
    • 20600-72-0
    • SCHEMBL19146551
    • Inchi: 1S/C21H14O2/c1-13-7-2-3-8-14(13)15-11-6-12-18-19(15)21(23)17-10-5-4-9-16(17)20(18)22/h2-12H,1H3
    • InChI Key: HQFYEFYEKUSUAT-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2C(C2C=CC=C(C3C=CC=CC=3C)C=21)=O

Computed Properties

  • Exact Mass: 298.09942
  • Monoisotopic Mass: 298.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 1
  • Complexity: 482
  • 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: 34.1?2

Experimental Properties

  • PSA: 34.14
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