Home Sulfos 2-Hydroxy-5-sulfopyridine-3-carboxylic acid

2-Hydroxy-5-sulfopyridine-3-carboxylic acid

CAS No.:
334708-05-3
Catalog Number:
AG00C8Y0
Molecular Formula:
C6H5NO6S
Molecular Weight:
219.1720
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Product Description
Catalog Number:
AG00C8Y0
Chemical Name:
2-Hydroxy-5-sulfopyridine-3-carboxylic acid
CAS Number:
334708-05-3
Molecular Formula:
C6H5NO6S
Molecular Weight:
219.1720
MDL Number:
MFCD04973724
IUPAC Name:
2-oxo-5-sulfo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C6H5NO6S/c8-5-4(6(9)10)1-3(2-7-5)14(11,12)13/h1-2H,(H,7,8)(H,9,10)(H,11,12,13)
InChI Key:
ZUWITCSMJULFEU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cnc1O)S(=O)(=O)O
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.984g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
219.167g/mol
Monoisotopic Mass:
218.984g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties