| CAS Number | 1247722-43-5 |
| Catalog Number | AG01AH9X(AGN-PC-0WO9NP) |
| Chemical Name | 6-ethanesulfonamidopyridine-3-carboxylic acid |
| IUPAC Name | 6-(ethylsulfonylamino)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H10N2O4S/c1-2-15(13,14)10-7-4-3-6(5-9-7)8(11)12/h3-5H,2H2,1H3,(H,9,10)(H,11,12) |
| InChI Key | BSXHUKUEJCGUEN-UHFFFAOYSA-N |
| MDL Number | MFCD14623621 |
| Molecular Formula | C8H10N2O4S |
| Molecular Weight | 230.2410 |
| SMILES | CCS(NC1=NC=C(C(O)=O)C=C1)(=O)=O |
| Synonyms | 6-ethanesulfonamidopyridine-3-carboxylic acid,
1247722-43-5,
ZINC41048758,
AKOS010572930,
MCULE-5247715592,
NE56791,
EN300-74136,
Z1259335835,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.238g/mol |
| Monoisotopic Mass | 230.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number