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14045-14-8

14045-14-8 | 2-Pyridinecarboxylic acid, 4-sulfo-

CAS No: 14045-14-8 Catalog No: AG001CGI MDL No:

Product Description

Catalog Number:
AG001CGI
Chemical Name:
2-Pyridinecarboxylic acid, 4-sulfo-
CAS Number:
14045-14-8
Molecular Formula:
C6H5NO5S
Molecular Weight:
203.1726
IUPAC Name:
4-sulfopyridine-2-carboxylic acid
InChI:
InChI=1S/C6H5NO5S/c8-6(9)5-3-4(1-2-7-5)13(10,11)12/h1-3H,(H,8,9)(H,10,11,12)
InChI Key:
PBTQDTXOXWBXLC-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc(c1)S(=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:
-0.5  

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