| CAS Number | 937612-81-2 |
| Catalog Number | AG019MQ3(AGN-PC-0WOB63) |
| Chemical Name | 4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C7H10N2O4S/c1-9(2)14(12,13)5-3-6(7(10)11)8-4-5/h3-4,8H,1-2H3,(H,10,11) |
| InChI Key | MZOGCGKXLWGCHT-UHFFFAOYSA-N |
| MDL Number | MFCD09052977 |
| Molecular Formula | C7H10N2O4S |
| Molecular Weight | 218.2303 |
| SMILES | CN(S(C1C=C(C(O)=O)NC=1)(=O)=O)C |
| Synonyms | 4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid,
937612-81-2,
4-[(dimethylamino)sulfonyl]-1H-pyrrole-2-carboxylic acid,
AC1Q3X2C,
CTK7I5904,
ZINC22159523,
AKOS000136065,
MCULE-6645476010,
EN300-36924,
|
| Complexity | 319 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.227g/mol |
| Monoisotopic Mass | 218.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 98.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number