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139263-48-2 | 2-Pyridinesulfonic acid, 5-hydroxy-
CAS No: 139263-48-2 Catalog No: AG001ALD MDL No:
Product Description
Catalog Number:
AG001ALD
Chemical Name:
2-Pyridinesulfonic acid, 5-hydroxy-
CAS Number:
139263-48-2
Molecular Formula:
C5H5NO4S
Molecular Weight:
175.1625
IUPAC Name:
5-hydroxypyridine-2-sulfonic acid
InChI:
InChI=1S/C5H5NO4S/c7-4-1-2-5(6-3-4)11(8,9)10/h1-3,7H,(H,8,9,10)
InChI Key:
SYFBIBPUIWDDJU-UHFFFAOYSA-N
SMILES:
Oc1ccc(nc1)S(=O)(=O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.994g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.158g/mol
Monoisotopic Mass:
174.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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