HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-(Ethylsulfamoyl)benzene-1,3-dicarboxylic acid
Identifiers & Physical Properties
| CAS No. | 90923-51-6 |
|---|---|
| Molecular formula | C10H11NO6S |
| Average molar mass | 273.26 g/mol |
| Monoisotopic mass | 273.03070824 g/mol |
| SMILES | CCNS(=O)(=O)c1cc(C(=O)O)cc(C(=O)O)c1 |
| InChIKey | CXKNEFNHRUCBAY-UHFFFAOYSA-N |
| PubChem CID | 257553 |
| DTXSID | DTXSID50920062 |
Chemical & Physical Properties
| XLogP | 0.3 |
|---|---|
| Topological polar surface area | 129 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 5 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 404 |