Base information
| Cat. No. | |
| CAS No. | 1220-80-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H19NO4S |
| Molecular Weight | 285.359 |
| Exact Mass | 285.103 |
| XLogP3 | 3.2443 |
| Mr | 73.1105 |
| PSA | 91.85 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 38 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CC(C[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)C)C |
