Base information
| Cat. No. | |
| CAS No. | 2096495-90-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H15NO6S |
| Molecular Weight | 325.337 |
| Exact Mass | 325.062 |
| XLogP3 | 2.8759 |
| Mr | 77.7955 |
| PSA | 118.15 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 38 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CCC(C(=O)O)NC(=O)OCC1=Cc2c(S1(=O)=O)cccc2 |
