| CAS Number | 1042556-50-2 |
| Catalog Number | AG01A7MX(AGN-PC-0WO2A0) |
| Chemical Name | 4-sulfamoyl-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 4-sulfamoyl-1H-pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C5H6N2O4S/c6-12(10,11)3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)(H2,6,10,11) |
| InChI Key | DSRIAQJIFHUAEB-UHFFFAOYSA-N |
| MDL Number | MFCD11167873 |
| Molecular Formula | C5H6N2O4S |
| Molecular Weight | 190.1771 |
| SMILES | NS(C1C=C(C(O)=O)NC=1)(=O)=O |
| Synonyms | 4-sulfamoyl-1H-pyrrole-2-carboxylic acid,
1042556-50-2,
AC1Q55FZ,
CTK7I5903,
ZINC20213435,
AKOS008105150,
MCULE-7294352918,
EN300-59196,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.173g/mol |
| Monoisotopic Mass | 190.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number