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68334-66-7 | 2,3-Dihydro-3-oxo-1,2-benzisothiazole-4-sulfonic acid 1,1-dioxide
CAS No: 68334-66-7 Catalog No: AG00FP4A MDL No:
Product Description
Catalog Number:
AG00FP4A
Chemical Name:
2,3-Dihydro-3-oxo-1,2-benzisothiazole-4-sulfonic acid 1,1-dioxide
CAS Number:
68334-66-7
IUPAC Name:
1,1,3-trioxo-1,2-benzothiazole-4-sulfonic acid
InChI:
InChI=1S/C7H5NO6S2/c9-7-6-4(15(10,11)8-7)2-1-3-5(6)16(12,13)14/h1-3H,(H,8,9)(H,12,13,14)
InChI Key:
YTFXRXPSWMORAW-UHFFFAOYSA-N
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.956g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.238g/mol
Monoisotopic Mass:
262.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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