| CAS Number | 61830-06-6 |
| Catalog Number | AG00EL8M(AGN-PC-0NIQX6) |
| Chemical Name | 3-methanesulfonylpyridine-2-carboxylic acid |
| IUPAC Name | 3-methylsulfonylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H7NO4S/c1-13(11,12)5-3-2-4-8-6(5)7(9)10/h2-4H,1H3,(H,9,10) |
| InChI Key | PMLMPPPFXKNYQI-UHFFFAOYSA-N |
| MDL Number | MFCD22628311 |
| Molecular Formula | C7H7NO4S |
| Molecular Weight | 201.1998 |
| SMILES | CS(C1=C(C(O)=O)N=CC=C1)(=O)=O |
| Synonyms | 61830-06-6,
3-(Methylsulfonyl)picolinic acid,
3-(methylsulfonyl)-2-pyridinecarboxylic acid,
3-methanesulfonylpyridine-2-carboxylic acid,
2-Pyridinecarboxylic acid, 3-(methylsulfonyl)-,
SCHEMBL1252476,
CHEMBL3252135,
CTK2D1614,
DTXSID60494108,
PMLMPPPFXKNYQI-UHFFFAOYSA-N,
3-(Methylsulfonyl) picolinic acid,
ZINC75601807,
AKOS022646692,
DA-41954,
FT-0707151,
3-(Methanesulfonyl)pyridine-2-carboxylic acid,
3-(Methylsulfonyl)pyridine-2-carboxylic Acid,
Z2301438523,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.196g/mol |
| Monoisotopic Mass | 201.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number