Base information
| Cat. No. | |
| CAS No. | 856122-70-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6O4 |
| Molecular Weight | 178.142 |
| Exact Mass | 178.027 |
| XLogP3 | 2.2378 |
| Mr | 43.3693 |
| PSA | 63.58 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1ccc(o1)c1ccco1 |
