Base information
| Cat. No. | |
| CAS No. | 76721-89-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H15NO3S |
| Molecular Weight | 253.317 |
| Exact Mass | 253.077 |
| XLogP3 | 1.3668 |
| Mr | 68.1455 |
| PSA | 105.2 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 32 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | SCC(C(=O)NCC(=O)O)Cc1ccccc1 |
