Base information
| Cat. No. | |
| CAS No. | 265312-60-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7NO3S |
| Molecular Weight | 209.222 |
| Exact Mass | 209.015 |
| XLogP3 | 1.3608 |
| Mr | 50.773 |
| PSA | 84.5 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COC1=CC(=O)c2c(C1=O)nc(s2)C |
