Base information
| Cat. No. | |
| CAS No. | 71675-99-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11NO5S |
| Molecular Weight | 245.252 |
| Exact Mass | 245.036 |
| XLogP3 | 2.0411 |
| Mr | 57.3917 |
| PSA | 115.07 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(N)c(cc1C(=O)O)S(=O)(=O)C |
