Base information
| Cat. No. | |
| CAS No. | 6286-46-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9BrO4 |
| Molecular Weight | 261.069 |
| Exact Mass | 259.968 |
| XLogP3 | 2.1645 |
| Mr | 54.0853 |
| PSA | 55.76 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C(=O)O)c(cc1OC)Br |
