| CAS Number | 1914148-55-2 |
| Catalog Number | AG002F86(AGN-PC-0WAMHZ) |
| Chemical Name | 3-Methylpyridine-2-sulfonic acid hydrate |
| IUPAC Name | 3-methylpyridine-2-sulfonic acid;hydrate |
| InChI | InChI=1S/C6H7NO3S.H2O/c1-5-3-2-4-7-6(5)11(8,9)10;/h2-4H,1H3,(H,8,9,10);1H2 |
| InChI Key | RSQIMDKJHKOOQW-UHFFFAOYSA-N |
| MDL Number | MFCD29918419 |
| Molecular Formula | C6H9NO4S |
| Molecular Weight | 191.2050 |
| SMILES | [H]O[H].CC1=CC=CN=C1S(O)(=O)=O |
| Synonyms | 3-Methylpyridine-2-sulfonic acid hydrate,
1914148-55-2,
AK308528,
KS-00000L9O,
MFCD29918419,
AKOS027320843,
3-methylpyridine-2-sulfonic acid;hydrate,
DS-11461,
2-Pyridinesulfonic acid, 3-methyl-, hydrate (1:1),
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.201g/mol |
| Monoisotopic Mass | 191.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number