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51498-37-4 | 4-Hydroxypyridine-3-sulfonic acid
CAS No: 51498-37-4 Catalog No: AG003LJU MDL No:MFCD02093473
Product Description
Catalog Number:
AG003LJU
Chemical Name:
4-Hydroxypyridine-3-sulfonic acid
CAS Number:
51498-37-4
Molecular Formula:
C5H5NO4S
Molecular Weight:
175.1625
MDL Number:
MFCD02093473
IUPAC Name:
4-oxo-1H-pyridine-3-sulfonic acid
InChI:
InChI=1S/C5H5NO4S/c7-4-1-2-6-3-5(4)11(8,9)10/h1-3H,(H,6,7)(H,8,9,10)
InChI Key:
AZRCSTMIVMQIPR-UHFFFAOYSA-N
SMILES:
Oc1ccncc1S(=O)(=O)O
EC Number:
257-243-2
Properties
Complexity:
332
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:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| 4-Amino-pyridinium-3-sulfonate monohydrate. | Acta crystallographica. Section E, Structure reports online 20110201 |
| 4-Hy-droxy-pyridinium-3-sulfonate. | Acta crystallographica. Section E, Structure reports online 20110101 |
| Bis(4-hydroxy-pyridinium) sulfate monohydrate. | Acta crystallographica. Section E, Structure reports online 20091201 |
| Tris(4-hydroxy-pyridinium) hydrogen sulfate-sulfate monohydrate. | Acta crystallographica. Section E, Structure reports online 20091201 |
| 4-Hydroxy-pyridinium hydrogen sulfate. | Acta crystallographica. Section E, Structure reports online 20091201 |
| Diaqua-bis(4-oxo-1,4-dihydro-pyridine-3-sulfonato-κO,O)zinc(II). | Acta crystallographica. Section E, Structure reports online 20091101 |
| Hydro-nium 4-oxo-1,4-dihydro-pyridine-3-sulfonate dihydrate. | Acta crystallographica. Section E, Structure reports online 20091101 |
| A series of silver(I) pyridone-sulfonates with 1-D 'butterfly' chain, 2-D lamellar network and 3-D pillared layered frameworks: syntheses, structures and characterizations. | Dalton transactions (Cambridge, England : 2003) 20090907 |
| The first continuous silver polyhedra framework containing four kinds of coordination spheres. | Dalton transactions (Cambridge, England : 2003) 20090227 |
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