Cas no 89782-98-9 (Sulfamic acid, (4-methylbenzoyl)-)

Sulfamic acid, (4-methylbenzoyl)- structure
89782-98-9 structure
Product Name:Sulfamic acid, (4-methylbenzoyl)-
CAS No:89782-98-9
MF:C8H9NO4S
MW:215.226361036301
CID:589235
PubChem ID:13266223
Update Time:2025-04-19

Sulfamic acid, (4-methylbenzoyl)- Chemical and Physical Properties

Names and Identifiers

    • Sulfamic acid, (4-methylbenzoyl)-
    • (4-methylbenzoyl)sulfamic acid
    • 89782-98-9
    • DTXSID50533151
    • Inchi: 1S/C8H9NO4S/c1-6-2-4-7(5-3-6)8(10)9-14(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)
    • InChI Key: KZOWRYYHNFUFPB-UHFFFAOYSA-N
    • SMILES: S(NC(C1C=CC(C)=CC=1)=O)(=O)(=O)O

Computed Properties

  • Exact Mass: 215.02522894g/mol
  • Monoisotopic Mass: 215.02522894g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 298
  • 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: 0.6
  • Topological Polar Surface Area: 91.8?2

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