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58249-25-5 | 1,2-benzisothiazol-3(2H)-one, sodium salt
CAS No: 58249-25-5 Catalog No: AG00ECOV MDL No:
Product Description
Catalog Number:
AG00ECOV
Chemical Name:
1,2-benzisothiazol-3(2H)-one, sodium salt
CAS Number:
58249-25-5
IUPAC Name:
sodium;1,2-benzothiazol-2-id-3-one
InChI:
InChI=1S/C7H5NOS.Na/c9-7-5-3-1-2-4-6(5)10-8-7;/h1-4H,(H,8,9);/q;+1/p-1
InChI Key:
CFMIJCAMTQLSTM-UHFFFAOYSA-M
EC Number:
261-184-8
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.165g/mol
Monoisotopic Mass:
172.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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