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856107-05-6 |
CAS No: 856107-05-6 Catalog No: AG01FMQF MDL No:
Product Description
Catalog Number:
AG01FMQF
CAS Number:
856107-05-6
IUPAC Name:
sodium;1,1-dioxo-1,2-benzothiazol-3-olate;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
EC Number:
617-325-4
Properties
Complexity:
319
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:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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