Cas no 4599-94-4 (13H-dibenzo[a,h]fluoren-13-one)

13H-dibenzo[a,h]fluoren-13-one structure
4599-94-4 structure
Product Name:13H-dibenzo[a,h]fluoren-13-one
CAS No:4599-94-4
MF:C21H12O
MW:280.319385528564
CID:1521011
PubChem ID:20730
Update Time:2025-04-21

13H-dibenzo[a,h]fluoren-13-one Chemical and Physical Properties

Names and Identifiers

    • 13H-dibenzo[a,h]fluoren-13-one
    • 13H-DIBENZO(A,H)FLUOREN-13-ONE
    • SCHEMBL16144670
    • 4599-94-4
    • DTXSID80196677
    • Inchi: 1S/C21H12O/c22-21-19-12-15-7-2-1-6-14(15)11-18(19)17-10-9-13-5-3-4-8-16(13)20(17)21/h1-12H
    • InChI Key: TVSSQUFHTRMRMP-UHFFFAOYSA-N
    • SMILES: O=C1C2C=C3C=CC=CC3=CC=2C2C=CC3C=CC=CC=3C=21

Computed Properties

  • Exact Mass: 280.08886
  • Monoisotopic Mass: 280.088815
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 0
  • Complexity: 455
  • 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
  • Topological Polar Surface Area: 17.1
  • XLogP3: 5.6

Experimental Properties

  • Density: 1.315
  • Melting Point: 214.0 °C
  • Boiling Point: 520.9°C at 760 mmHg
  • Flash Point: 233.8°C
  • Refractive Index: 1.782
  • PSA: 17.07
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