Base information
| Cat. No. | |
| CAS No. | 116119-01-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8O5 |
| Molecular Weight | 196.157 |
| Exact Mass | 196.037 |
| XLogP3 | 0.9075 |
| Mr | 45.8075 |
| PSA | 64.99 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc(O)c2c(c1)OCO2 |
