| CAS Number | 1308677-82-8 |
| Catalog Number | AG01ACZY(AGN-PC-0WO41Z) |
| Chemical Name | 2-sulfamoylpyridine-4-carboxylic acid |
| IUPAC Name | 2-sulfamoylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C6H6N2O4S/c7-13(11,12)5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)(H2,7,11,12) |
| InChI Key | RUXSMPHNLBWTHU-UHFFFAOYSA-N |
| MDL Number | MFCD20489510 |
| Molecular Formula | C6H6N2O4S |
| Molecular Weight | 202.1878 |
| SMILES | S(N)(=O)(=O)C1=NC=CC(=C1)C(=O)O |
| Synonyms | 2-sulfamoylpyridine-4-carboxylic acid,
1308677-82-8,
2-(Aminosulfonyl)isonicotinic acid,
ZINC79006721,
AKOS026727397,
MCULE-2128712558,
NE35519,
2-(Aminosulfonyl)-pyridine-4-carboxylic acid,
Z1723549295,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.184g/mol |
| Monoisotopic Mass | 202.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
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Certificate of Analysis
Lot Number