| CAS Number | 4329-93-5 |
| Catalog Number | AG00DZK1(AGN-PC-0OAEJM) |
| Chemical Name | 1-Methylpyridin-1-ium-2-sulfonate |
| IUPAC Name | 1-methylpyridin-1-ium-2-sulfonate |
| InChI | InChI=1S/C6H7NO3S/c1-7-5-3-2-4-6(7)11(8,9)10/h2-5H,1H3 |
| InChI Key | YBNCNAMRNBKKMS-UHFFFAOYSA-N |
| MDL Number | MFCD00775931 |
| Molecular Formula | C6H7NO3S |
| Molecular Weight | 173.1897 |
| SMILES | C[N+]1=C(S([O-])(=O)=O)C=CC=C1 |
| Synonyms | 1-methylpyridinium-2-sulfonate,
4329-93-5,
1-methylpyridin-1-ium-2-sulfonate,
BAS 00482369,
AC1MJA94,
AC1Q29RB,
SCHEMBL2186115,
SCHEMBL2233571,
CTK4I7229,
1-methylpyridine-2-sulfonic acid,
DTXSID70389334,
BBL005447,
MFCD00775931,
STK396274,
AKOS000116757,
MCULE-1688037075,
H2714,
ST50231541,
EN300-03923,
CID3109004,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.186g/mol |
| Monoisotopic Mass | 173.015g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 69.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number