Base information
| Cat. No. | |
| CAS No. | 84029-44-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H11NO4S |
| Molecular Weight | 217.242 |
| Exact Mass | 217.041 |
| XLogP3 | 2.3721 |
| Mr | 52.9345 |
| PSA | 84.01 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(ccc1C)NS(=O)(=O)O |
