Cas no 68427-33-8 (potassium 1,3-dioxo-1H,3H-naphtho[1,8-cd]pyran-6-sulphonate(1:2))

potassium 1,3-dioxo-1H,3H-naphtho[1,8-cd]pyran-6-sulphonate(1:2) structure
68427-33-8 structure
Product Name:potassium 1,3-dioxo-1H,3H-naphtho[1,8-cd]pyran-6-sulphonate(1:2)
CAS No:68427-33-8
MF:C24H11KO12S2
MW:594.565245866776
CID:1734501
PubChem ID:85966103
Update Time:2025-04-21

potassium 1,3-dioxo-1H,3H-naphtho[1,8-cd]pyran-6-sulphonate(1:2) Chemical and Physical Properties

Names and Identifiers

    • potassium 1,3-dioxo-1H,3H-naphtho[1,8-cd]pyran-6-sulphonate(1:2)
    • Potassium 1,3-dioxo-1H,3H-naphtho(1,8-cd)pyran-6-sulphonate(1:2)
    • HJTMGSTUTXYPBS-UHFFFAOYSA-M
    • 68427-33-8
    • EINECS 270-391-2
    • Inchi: 1S/2C12H6O6S.K/c2*13-11-7-3-1-2-6-9(19(15,16)17)5-4-8(10(6)7)12(14)18-11;/h2*1-5H,(H,15,16,17);/q;;+1/p-1
    • InChI Key: HJTMGSTUTXYPBS-UHFFFAOYSA-M
    • SMILES: [K+].S(C1=CC=C2C(=O)OC(C3C=CC=C1C2=3)=O)(=O)(=O)[O-].S(C1=CC=C2C(=O)OC(C3C=CC=C1C2=3)=O)(=O)(=O)O

Computed Properties

  • Exact Mass: 593.93289961g/mol
  • Monoisotopic Mass: 593.93289961g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 2
  • Complexity: 1040
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 215?2
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