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1237754-66-3 | 1,2-Benzisothiazole-5-carboxylic acid, 2,3-dihydro-2-methyl-3-oxo-, 1,1-dioxide
CAS No: 1237754-66-3 Catalog No: AG000L23 MDL No:
Product Description
Catalog Number:
AG000L23
Chemical Name:
1,2-Benzisothiazole-5-carboxylic acid, 2,3-dihydro-2-methyl-3-oxo-, 1,1-dioxide
CAS Number:
1237754-66-3
Molecular Formula:
C9H7NO5S
Molecular Weight:
241.2206
IUPAC Name:
2-methyl-1,1,3-trioxo-1,2-benzothiazole-5-carboxylic acid
InChI:
InChI=1S/C9H7NO5S/c1-10-8(11)6-4-5(9(12)13)2-3-7(6)16(10,14)15/h2-4H,1H3,(H,12,13)
InChI Key:
SUTGPXQXZUATND-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2S(=O)(=O)N1C)C(=O)O
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.004g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.217g/mol
Monoisotopic Mass:
241.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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