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Home > Pyridines > 163137-36-8
163137-36-8 | 3-Pyridinesulfonic acid, 1,6-dihydro-4-hydroxy-6-oxo-
CAS No: 163137-36-8 Catalog No: AG001TTK MDL No:
Product Description
Catalog Number:
AG001TTK
Chemical Name:
3-Pyridinesulfonic acid, 1,6-dihydro-4-hydroxy-6-oxo-
CAS Number:
163137-36-8
Molecular Formula:
C5H5NO5S
Molecular Weight:
191.1619
IUPAC Name:
4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid
InChI:
InChI=1S/C5H5NO5S/c7-3-1-5(8)6-2-4(3)12(9,10)11/h1-2H,(H2,6,7,8)(H,9,10,11)
InChI Key:
BLGVTZLMMGSBRG-UHFFFAOYSA-N
SMILES:
Oc1cc(=O)[nH]cc1S(=O)(=O)O
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.989g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.157g/mol
Monoisotopic Mass:
190.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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