3H-2,1-Benzoxathiol-3-one, 1,1-dioxide


Chemical Name: 3H-2,1-Benzoxathiol-3-one, 1,1-dioxide
CAS Number: 81-08-3
Product Number: AG003B9Q(AGN-PC-0JL6SX)
Synonyms:
MDL No:
Molecular Formula: C7H4O4S
Molecular Weight: 184.1693

Identification/Properties


Properties
MP:
116-127 °C
BP:
314.7 °C at 760 mmHg
Storage:
Room Temperature;Inert atmosphere;
Form:
Solid
Stability:
Moisture Sensitive
Refractive Index:
1.6290 (estimate)
Computed Properties
Molecular Weight:
184.165g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
183.983g/mol
Monoisotopic Mass:
183.983g/mol
Topological Polar Surface Area:
68.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
300
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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