| CAS Number | 870693-08-6 |
| Catalog Number | AG019OPD |
| Chemical Name | 4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C9H12N2O4S/c12-9(13)8-5-7(6-10-8)16(14,15)11-3-1-2-4-11/h5-6,10H,1-4H2,(H,12,13) |
| InChI Key | SEXGWTLWMPYETM-UHFFFAOYSA-N |
| MDL Number | MFCD07346345 |
| Molecular Formula | C9H12N2O4S |
| Molecular Weight | 244.2676 |
| SMILES | OC(C1NC=C(S(N2CCCC2)(=O)=O)C=1)=O |
| Synonyms | 4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxylic acid,
870693-08-6,
4-(pyrrolidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid,
AC1OFKPF,
AC1Q72VJ,
SCHEMBL3761172,
4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylic Acid,
CTK7I5908,
ZINC4218560,
AKOS000136189,
MCULE-8592139155,
NE56462,
EN300-14780,
Z104442642,
CID7131113,
|
| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.265g/mol |
| Monoisotopic Mass | 244.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 98.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number