Base information
| Cat. No. | |
| CAS No. | 808750-20-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9BrO3 |
| Molecular Weight | 245.07 |
| Exact Mass | 243.974 |
| XLogP3 | 2.4643 |
| Mr | 52.5593 |
| PSA | 46.53 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1c(C)cc(cc1Br)C(=O)O |
