Base information
| Cat. No. | |
| CAS No. | 5780-07-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.157 |
| Exact Mass | 180.042 |
| XLogP3 | 1.2364 |
| Mr | 44.3845 |
| PSA | 44.76 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C=O)cc2c1OCO2 |
