Base information
| Cat. No. | |
| CAS No. | 850568-34-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H16BNO3 |
| Molecular Weight | 233.071 |
| Exact Mass | 233.122 |
| XLogP3 | -0.0696 |
| Mr | 70.3871 |
| PSA | 60.77 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 34 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C(c1cccc(c1)B(O)O)N1CCCCC1 |