Base information
| Cat. No. | |
| CAS No. | 850991-41-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12BNO3 |
| Molecular Weight | 180.997 |
| Exact Mass | 181.091 |
| XLogP3 | -0.4514 |
| Mr | 50.1686 |
| PSA | 62.58 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OB(c1cncc(c1)OC(C)C)O |
