Cas no 66832-97-1 (Ethanone, 1-[2,4-bis(benzoyloxy)phenyl]-)

Ethanone, 1-[2,4-bis(benzoyloxy)phenyl]- structure
66832-97-1 structure
Product Name:Ethanone, 1-[2,4-bis(benzoyloxy)phenyl]-
CAS No:66832-97-1
MF:C22H16O5
MW:360.359446525574
CID:395706
PubChem ID:10808458
Update Time:2025-04-19

Ethanone, 1-[2,4-bis(benzoyloxy)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1-[2,4-bis(benzoyloxy)phenyl]-
    • (4-acetyl-3-benzoyloxyphenyl) benzoate
    • SCHEMBL23285676
    • 1-(2,4-BIS(BENZOYLOXY)PHENYL)ETHANONE
    • 66832-97-1
    • 4-acetyl-1,3-phenylene dibenzoate
    • DTXSID20445232
    • Inchi: 1S/C22H16O5/c1-15(23)19-13-12-18(26-21(24)16-8-4-2-5-9-16)14-20(19)27-22(25)17-10-6-3-7-11-17/h2-14H,1H3
    • InChI Key: UDFGUGZHBVIIPB-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=CC=1)=O)C1C=C(C=CC=1C(C)=O)OC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 360.09978
  • Monoisotopic Mass: 360.09977361g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 7
  • Complexity: 531
  • 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: 4.4
  • Topological Polar Surface Area: 69.7?2

Experimental Properties

  • PSA: 69.67
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