Home Carboxys 1,2-Benzisothiazole-5-carboxylic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide

1,2-Benzisothiazole-5-carboxylic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide

CAS No.:
221446-00-0
Catalog Number:
AG007PBA
Molecular Formula:
C8H5NO5S
Molecular Weight:
227.1940
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Product Description
Catalog Number:
AG007PBA
Chemical Name:
1,2-Benzisothiazole-5-carboxylic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide
CAS Number:
221446-00-0
Molecular Formula:
C8H5NO5S
Molecular Weight:
227.1940
MDL Number:
MFCD16036686
IUPAC Name:
1,1,3-trioxo-1,2-benzothiazole-5-carboxylic acid
InChI:
InChI=1S/C8H5NO5S/c10-7-5-3-4(8(11)12)1-2-6(5)15(13,14)9-7/h1-3H,(H,9,10)(H,11,12)
InChI Key:
JNAXNQWQGXRBTE-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)c2c1cc(cc2)C(=O)O
Properties
Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.989g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.19g/mol
Monoisotopic Mass:
226.989g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties