Cas no 64180-18-3 (Ethanedione, bis(4-phenoxyphenyl)-)

Ethanedione, bis(4-phenoxyphenyl)- structure
64180-18-3 structure
Product Name:Ethanedione, bis(4-phenoxyphenyl)-
CAS No:64180-18-3
MF:C26H18O4
MW:394.418727397919
CID:389915
PubChem ID:3112531
Update Time:2025-04-19

Ethanedione, bis(4-phenoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanedione, bis(4-phenoxyphenyl)-
    • 1,2-bis(4-phenoxyphenyl)ethane-1,2-dione
    • DTXSID50389372
    • 64180-18-3
    • SCHEMBL4189871
    • Inchi: 1S/C26H18O4/c27-25(19-11-15-23(16-12-19)29-21-7-3-1-4-8-21)26(28)20-13-17-24(18-14-20)30-22-9-5-2-6-10-22/h1-18H
    • InChI Key: GPPKZEZSFHUCQS-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1)C1C=CC(=CC=1)C(C(C1C=CC(=CC=1)OC1C=CC=CC=1)=O)=O

Computed Properties

  • Exact Mass: 394.12050905g/mol
  • Monoisotopic Mass: 394.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 7
  • Complexity: 495
  • 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: 6.4
  • Topological Polar Surface Area: 52.6?2
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