Base information
| Cat. No. | |
| CAS No. | 206559-42-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9BrO4 |
| Molecular Weight | 261.069 |
| Exact Mass | 259.968 |
| XLogP3 | 1.7904 |
| Mr | 54.2018 |
| PSA | 66.76 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(CC(=O)O)cc(c1O)Br |
