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28789-68-6 | 2-Pyridinesulfonic acid, 1-oxide
CAS No: 28789-68-6 Catalog No: AG002WGA MDL No:
Product Description
Catalog Number:
AG002WGA
Chemical Name:
2-Pyridinesulfonic acid, 1-oxide
CAS Number:
28789-68-6
Molecular Formula:
C5H5NO4S
Molecular Weight:
175.1625
IUPAC Name:
1-oxidopyridin-1-ium-2-sulfonic acid
InChI:
InChI=1S/C5H5NO4S/c7-6-4-2-1-3-5(6)11(8,9)10/h1-4H,(H,8,9,10)
InChI Key:
JFWLUVJNISGVLW-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccccc1S(=O)(=O)O
UNII:
369VK59P22
Properties
Complexity:
219
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.158g/mol
Monoisotopic Mass:
174.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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