Cas no 25424-26-4 (Ethanedione,1,1'-(1,3-phenylene)bis[2-phenyl- (9CI))

Ethanedione,1,1'-(1,3-phenylene)bis[2-phenyl- (9CI) structure
25424-26-4 structure
Product Name:Ethanedione,1,1'-(1,3-phenylene)bis[2-phenyl- (9CI)
CAS No:25424-26-4
MF:C22H14O4
MW:342.344166278839
CID:275193
PubChem ID:100828
Update Time:2025-04-19

Ethanedione,1,1'-(1,3-phenylene)bis[2-phenyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,1'-(1,3-Phenylene)bis(2-phenylethanedione)
    • 1,1'-benzene-1,3-diylbis(2-phenylethane-1,2-dione)
    • NSC 379517
    • SCHEMBL10410934
    • 25424-26-4
    • NS00049741
    • DTXSID50948281
    • NSC-379517
    • 1,1'-(1,3-PHENYLENE)BIS[2-PHENYLETHANEDIONE]
    • NSC379517
    • 1,1'-(1,3-Phenylene)bis(phenylethane-1,2-dione)
    • EINECS 246-970-0
    • Ethanedione,1,1'-(1,3-phenylene)bis[2-phenyl- (9CI)
    • Inchi: 1S/C22H14O4/c23-19(15-8-3-1-4-9-15)21(25)17-12-7-13-18(14-17)22(26)20(24)16-10-5-2-6-11-16/h1-14H
    • InChI Key: JXFFIJCCFUQFQC-UHFFFAOYSA-N
    • SMILES: O=C(C(C1C=CC=CC=1)=O)C1C=CC=C(C(C(C2C=CC=CC=2)=O)=O)C=1

Computed Properties

  • Exact Mass: 342.08922
  • Monoisotopic Mass: 342.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 6
  • Complexity: 505
  • 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: 68.3?2

Experimental Properties

  • PSA: 68.28
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