Base information
| Cat. No. | |
| CAS No. | 21301-10-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H9NO4S |
| Molecular Weight | 179.194 |
| Exact Mass | 179.025 |
| XLogP3 | -0.5655 |
| Mr | 40.4233 |
| PSA | 125.43 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 19 |
| Ring number | 0 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | SC[C@@H](C(=O)O)NCC(=O)O |
