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82385-42-0 | 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate
CAS No: 82385-42-0 Catalog No: AG00ID8L MDL No:MFCD00149605
Product Description
Catalog Number:
AG00ID8L
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate
CAS Number:
82385-42-0
Molecular Formula:
C7H6NNaO4S
Molecular Weight:
223.1816
MDL Number:
MFCD00149605
IUPAC Name:
sodium;1,1-dioxo-1,2-benzothiazol-2-id-3-one;hydrate
InChI:
InChI=1S/C7H5NO3S.Na.H2O/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h1-4H,(H,8,9);;1H2/q;+1;/p-1
InChI Key:
ILJOYZVVZZFIKA-UHFFFAOYSA-M
SMILES:
O=C1[N-]S(=O)(=O)c2c1cccc2.[Na+].O
EC Number:
617-325-4
UNII:
A9CO00M9HV
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.178g/mol
Monoisotopic Mass:
222.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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