Base information
| Cat. No. | |
| CAS No. | 858127-11-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H11NaO6S |
| Molecular Weight | 330.288 |
| Exact Mass | 330.017 |
| XLogP3 | 3.188 |
| Mr | 76.2274 |
| PSA | 115.27 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 33 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Oc1cc(/C=C/c2ccc(cc2)O)cc(c1)OS(=O)(=O)[O-].[Na+] |
