Cas no 827319-20-0 (2-Propyn-1-one, 3-(4-ethynylphenyl)-1-phenyl-)

2-Propyn-1-one, 3-(4-ethynylphenyl)-1-phenyl- structure
827319-20-0 structure
Product Name:2-Propyn-1-one, 3-(4-ethynylphenyl)-1-phenyl-
CAS No:827319-20-0
MF:C17H10O
MW:230.260704517365
CID:684902
PubChem ID:71417558
Update Time:2025-04-19

2-Propyn-1-one, 3-(4-ethynylphenyl)-1-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Propyn-1-one, 3-(4-ethynylphenyl)-1-phenyl-
    • 3-(4-ethynylphenyl)-1-phenylprop-2-yn-1-one
    • 827319-20-0
    • DTXSID70836893
    • Inchi: 1S/C17H10O/c1-2-14-8-10-15(11-9-14)12-13-17(18)16-6-4-3-5-7-16/h1,3-11H
    • InChI Key: XYKWDJCNJKDEOP-UHFFFAOYSA-N
    • SMILES: O=C(C#CC1C=CC(C#C)=CC=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 230.073164938g/mol
  • Monoisotopic Mass: 230.073164938g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 397
  • 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: 4.1
  • Topological Polar Surface Area: 17.1?2
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