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14045-15-9 | 3-Pyridinecarboxylic acid, 4-sulfo-
CAS No: 14045-15-9 Catalog No: AG001CGH MDL No:
Product Description
Catalog Number:
AG001CGH
Chemical Name:
3-Pyridinecarboxylic acid, 4-sulfo-
CAS Number:
14045-15-9
Molecular Formula:
C6H5NO5S
Molecular Weight:
203.1726
IUPAC Name:
4-sulfopyridine-3-carboxylic acid
InChI:
InChI=1S/C6H5NO5S/c8-6(9)4-3-7-2-1-5(4)13(10,11)12/h1-3H,(H,8,9)(H,10,11,12)
InChI Key:
IGWGDXGNXRWAPM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnccc1S(=O)(=O)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.168g/mol
Monoisotopic Mass:
202.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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