Base information
| Cat. No. | |
| CAS No. | 21249-59-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H9BrO2 |
| Molecular Weight | 181.028 |
| Exact Mass | 179.979 |
| XLogP3 | 1.3329 |
| Mr | 35.304 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 16 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)CC(Br)C |
