Cas no 89782-94-5 (Sulfamic acid, [4-(1-methylethyl)benzoyl]-)

Sulfamic acid, [4-(1-methylethyl)benzoyl]- structure
89782-94-5 structure
Product Name:Sulfamic acid, [4-(1-methylethyl)benzoyl]-
CAS No:89782-94-5
MF:C10H13NO4S
MW:243.27952170372
CID:589239
PubChem ID:13266227
Update Time:2025-04-19

Sulfamic acid, [4-(1-methylethyl)benzoyl]- Chemical and Physical Properties

Names and Identifiers

    • Sulfamic acid, [4-(1-methylethyl)benzoyl]-
    • (4-propan-2-ylbenzoyl)sulfamic acid
    • 89782-94-5
    • [4-(Propan-2-yl)benzoyl]sulfamic acid
    • DTXSID70533153
    • Inchi: 1S/C10H13NO4S/c1-7(2)8-3-5-9(6-4-8)10(12)11-16(13,14)15/h3-7H,1-2H3,(H,11,12)(H,13,14,15)
    • InChI Key: STTPZVLIBIKNHO-UHFFFAOYSA-N
    • SMILES: S(NC(C1C=CC(=CC=1)C(C)C)=O)(=O)(=O)O

Computed Properties

  • Exact Mass: 243.05652907g/mol
  • Monoisotopic Mass: 243.05652907g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 336
  • 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: 1.4
  • Topological Polar Surface Area: 91.8?2
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