Cas no 41304-88-5 (2-Propyn-1-one, 1,1'-(1,4-phenylene)bis[3-phenyl-)

2-Propyn-1-one, 1,1'-(1,4-phenylene)bis[3-phenyl- structure
41304-88-5 structure
Product Name:2-Propyn-1-one, 1,1'-(1,4-phenylene)bis[3-phenyl-
CAS No:41304-88-5
MF:C24H14O2
MW:334.366766452789
CID:324359
PubChem ID:14267124
Update Time:2025-04-19

2-Propyn-1-one, 1,1'-(1,4-phenylene)bis[3-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 3-phenyl-1-[4-(3-phenylprop-2-ynoyl)phenyl]prop-2-yn-1-one
    • 1,1'-(1,4-Phenylene)bis(3-phenylprop-2-yn-1-one)
    • SCHEMBL10625119
    • 41304-88-5
    • DTXSID30558185
    • 2-Propyn-1-one, 1,1'-(1,4-phenylene)bis[3-phenyl-
    • Inchi: 1S/C24H14O2/c25-23(17-11-19-7-3-1-4-8-19)21-13-15-22(16-14-21)24(26)18-12-20-9-5-2-6-10-20/h1-10,13-16H
    • InChI Key: FISRADNYOQUUPJ-UHFFFAOYSA-N
    • SMILES: O=C(C#CC1C=CC=CC=1)C1C=CC(C(C#CC2C=CC=CC=2)=O)=CC=1

Computed Properties

  • Exact Mass: 334.099379685g/mol
  • Monoisotopic Mass: 334.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 4
  • Complexity: 569
  • 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: 5.8
  • Topological Polar Surface Area: 34.1?2
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