Cas no 69566-95-6 (1-Propanone,1-[4-(methylsulfonyl)phenyl]-)

1-Propanone,1-[4-(methylsulfonyl)phenyl]- structure
69566-95-6 structure
Product Name:1-Propanone,1-[4-(methylsulfonyl)phenyl]-
CAS No:69566-95-6
MF:C10H12O3S
MW:212.265481948853
CID:501965
PubChem ID:7124336
Update Time:2025-04-19

1-Propanone,1-[4-(methylsulfonyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • 1-Propanone,1-[4-(methylsulfonyl)phenyl]-
    • 1-Propanone, 1-[4-(methylsulfonyl)phenyl]- (9CI) Propiophenone, 4'-(methylsulfonyl)- (7CI)
    • 1-(4-(Methylsulfonyl)phenyl)propan-1-one
    • Propiophenone,4'-(methylsulfonyl)- (7CI)
    • AKOS005632666
    • 69566-95-6
    • 1-[4-(methylsulfonyl)phenyl]propan-1-one
    • SCHEMBL1185872
    • 1-[4-(methylsulfonyl)phenyl]-1-propanone
    • AF-676/00077045
    • 1-(4-methylsulfonylphenyl)propan-1-one
    • Propiophenone, 4'-(methylsulfonyl)- (7CI)
    • STK873750
    • G79648
    • 1-Propanone, 1-[4-(methylsulfonyl)phenyl]- (9CI)
    • Inchi： 1S/C10H12O3S/c1-3-10(11)8-4-6-9(7-5-8)14(2,12)13/h4-7H,3H2,1-2H3
    • InChI Key： RYSJFJGVYRUSBT-UHFFFAOYSA-N
    • SMILES： S(C)(C1C=CC(C(CC)=O)=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 212.05076
  • Monoisotopic Mass: 212.05071541g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 292
  • 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: 1.6
  • Topological Polar Surface Area: 59.6?2

Experimental Properties

  • PSA: 51.21

1-Propanone,1-[4-(methylsulfonyl)phenyl]- Related Literature

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