2-methylsulfonylpyridine-4-carboxylic acid


Chemical Name: 2-methylsulfonylpyridine-4-carboxylic acid
CAS Number: 1186663-27-3
Product Number: AG003F33(AGN-PC-09T3WY)
Synonyms:
MDL No: MFCD12828707
Molecular Formula: C7H7NO4S
Molecular Weight: 201.1998

Identification/Properties


Properties
BP:
594.1±50.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
201.196g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
201.01g/mol
Monoisotopic Mass:
201.01g/mol
Topological Polar Surface Area:
92.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
292
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:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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