3-Methylpyridine-2-sulfonic acid hydrate


Chemical Name: 3-Methylpyridine-2-sulfonic acid hydrate
CAS Number: 1914148-55-2
Product Number: AG002F86(AGN-PC-0WAMHZ)
Synonyms:
MDL No:
Molecular Formula: C6H9NO4S
Molecular Weight: 191.2050

Identification/Properties


Computed Properties
Molecular Weight:
191.201g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
191.025g/mol
Monoisotopic Mass:
191.025g/mol
Topological Polar Surface Area:
76.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
219
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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