Cas no 17558-64-4 (1-Propanone, 1,1'-(1,4-phenylene)bis-)

1-Propanone, 1,1'-(1,4-phenylene)bis- structure
17558-64-4 structure
Product Name:1-Propanone, 1,1'-(1,4-phenylene)bis-
CAS No:17558-64-4
MF:C12H14O2
MW:190.238363742828
CID:1361851
PubChem ID:14623671
Update Time:2025-04-20

1-Propanone, 1,1'-(1,4-phenylene)bis- Chemical and Physical Properties

Names and Identifiers

    • 1-Propanone, 1,1'-(1,4-phenylene)bis-
    • 1-(4-propanoylphenyl)propan-1-one
    • SCHEMBL8051337
    • 1,4-Dipropionylbenzene
    • DTXSID00562330
    • 17558-64-4
    • RJJQKFVSENWLLE-UHFFFAOYSA-N
    • 1,1'-(1,4-Phenylene)di(propan-1-one)
    • Inchi: 1S/C12H14O2/c1-3-11(13)9-5-7-10(8-6-9)12(14)4-2/h5-8H,3-4H2,1-2H3
    • InChI Key: RJJQKFVSENWLLE-UHFFFAOYSA-N
    • SMILES: O=C(CC)C1C=CC(C(CC)=O)=CC=1

Computed Properties

  • Exact Mass: 190.099379685g/mol
  • Monoisotopic Mass: 190.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 188
  • 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: 2.5
  • Topological Polar Surface Area: 34.1?2
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