Base information
| Cat. No. | |
| CAS No. | 121-91-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6O4 |
| Molecular Weight | 166.131 |
| Exact Mass | 166.027 |
| XLogP3 | 1.083 |
| Mr | 40.3606 |
| PSA | 74.6 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1cccc(c1)C(=O)O |
