Base information
| Cat. No. | |
| CAS No. | 77189-99-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12O3S |
| Molecular Weight | 200.255 |
| Exact Mass | 200.051 |
| XLogP3 | 2.0011 |
| Mr | 53.17 |
| PSA | 66.49 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(OC)c(c(c1)OC)S |
