Base information
| Cat. No. | |
| CAS No. | 1603-47-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H8O5 |
| Molecular Weight | 232.189 |
| Exact Mass | 232.037 |
| XLogP3 | 2.2534 |
| Mr | 60.771 |
| PSA | 72.81 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 27 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1c2ccc(=O)oc2c(c2c1cco2)O |
