Cas no 4599-92-2 (11H-indeno[2,1-a]phenanthren-11-one)

11H-indeno[2,1-a]phenanthren-11-one structure
4599-92-2 structure
Product Name:11H-indeno[2,1-a]phenanthren-11-one
CAS No:4599-92-2
MF:C21H12O
MW:280.319385528564
CID:1517180
PubChem ID:20729
Update Time:2025-04-21

11H-indeno[2,1-a]phenanthren-11-one Chemical and Physical Properties

Names and Identifiers

    • 11H-indeno[2,1-a]phenanthren-11-one
    • 11H-INDENO(2,1-A)PHENANTHREN-11-ONE
    • indeno[2,1-a]phenanthren-11-one
    • DTXSID20196676
    • 4599-92-2
    • Inchi: 1S/C21H12O/c22-21-19-8-4-3-7-15(19)18-12-11-16-14-6-2-1-5-13(14)9-10-17(16)20(18)21/h1-12H
    • InChI Key: WNGJVBQGZZVCHG-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2C2C=CC3C4C=CC=CC=4C=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
  • Boiling Point: 520.9°C at 760 mmHg
  • Flash Point: 233.8°C
  • Refractive Index: 1.782
  • PSA: 17.07
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