Cas no 81447-35-0 (2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-)

2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]- structure
81447-35-0 structure
Product Name:2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-
CAS No:81447-35-0
MF:C12H14O5S
MW:270.301562786102
CID:703917
PubChem ID:9878550
Update Time:2025-04-19

2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]- Chemical and Physical Properties

Names and Identifiers

    • 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-
    • 2,4-dioxopentan-3-yl 4-methylbenzenesulfonate
    • 1-acetyl-2-oxopropyl 4-methylbenzenesulfonate
    • DTXSID50432236
    • 81447-35-0
    • 3-tosyloxypentane-2,4-dione
    • SCHEMBL8738852
    • 4-methyl-benzenesulfonic acid (1-acetyl-2-oxo-propyl) ester
    • Inchi: 1S/C12H14O5S/c1-8-4-6-11(7-5-8)18(15,16)17-12(9(2)13)10(3)14/h4-7,12H,1-3H3
    • InChI Key: ZTXDMJCULYXNHV-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(=O)(=O)OC(C(C)=O)C(C)=O

Computed Properties

  • Exact Mass: 270.05619472g/mol
  • Monoisotopic Mass: 270.05619472g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 398
  • 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: 1.3
  • Topological Polar Surface Area: 85.9?2
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