Base information
| Cat. No. | |
| CAS No. | 62625-29-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H19NaO5S |
| Molecular Weight | 406.427 |
| Exact Mass | 406.085 |
| XLogP3 | 4.9187 |
| Mr | 102.613 |
| PSA | 92.21 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 49 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(ccc1O)C1(OS(=O)(=O)c2c1cccc2)c1ccc(c(c1)C)O.[NaH] |
