Cas no 109699-80-1 (Benzo[c]phenanthrene-1,4-dione)

Benzo[c]phenanthrene-1,4-dione structure
109699-80-1 structure
Product Name:Benzo[c]phenanthrene-1,4-dione
CAS No:109699-80-1
MF:C18H10O2
MW:258.27080488205
CID:128527
PubChem ID:15317479
Update Time:2025-04-18

Benzo[c]phenanthrene-1,4-dione Chemical and Physical Properties

Names and Identifiers

    • Benzo[c]phenanthrene-1,4-dione
    • Benzo[c]phenanthrene[1,4]quinone
    • Benzo[c]phenanthrene[1,4]quinoneneat
    • benzo[g]phenanthrene-1,4-dione
    • benz<a>-1,4-phenanthrenequinone
    • 1H,4H-benzo[c]phenanthrene-1,4-dione
    • 1,4-benzo[c]phenanthrenequinone
    • 109699-80-1
    • FT-0758970
    • DTXSID90571370
    • Inchi: 1S/C18H10O2/c19-15-9-10-16(20)18-14(15)8-7-12-6-5-11-3-1-2-4-13(11)17(12)18/h1-10H
    • InChI Key: OJPQILIJRKPTNG-UHFFFAOYSA-N
    • SMILES: O=C1C=CC(C2=CC=C3C=CC4C=CC=CC=4C3=C21)=O

Computed Properties

  • Exact Mass: 258.06800
  • Monoisotopic Mass: 258.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 464
  • 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: 3.9
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14000
  • LogP: 3.92820
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