| CAS Number | 937627-33-3 |
| Catalog Number | AG019MRQ(AGN-PC-0WO1SW) |
| Chemical Name | 4-(ethylsulfamoyl)-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 4-(ethylsulfamoyl)-1H-pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C7H10N2O4S/c1-2-9-14(12,13)5-3-6(7(10)11)8-4-5/h3-4,8-9H,2H2,1H3,(H,10,11) |
| InChI Key | ILRDTJQMQHTCCP-UHFFFAOYSA-N |
| MDL Number | MFCD09052902 |
| Molecular Formula | C7H10N2O4S |
| Molecular Weight | 218.2303 |
| SMILES | CCNS(C1C=C(C(O)=O)NC=1)(=O)=O |
| Synonyms | 4-(ethylsulfamoyl)-1H-pyrrole-2-carboxylic acid,
937627-33-3,
4-[(ethylamino)sulfonyl]-1H-pyrrole-2-carboxylic acid,
AC1Q31MI,
CTK6F2505,
ZINC22159219,
AKOS000136304,
MCULE-4574090733,
EN300-37074,
AB01002792-01,
Z425449610,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.227g/mol |
| Monoisotopic Mass | 218.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number