Base information
| Cat. No. | |
| CAS No. | 1056636-11-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9BN2O3 |
| Molecular Weight | 203.99 |
| Exact Mass | 204.071 |
| XLogP3 | -0.98932 |
| Mr | 53.8198 |
| PSA | 93.35 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OB(c1ccc(cc1)C(=O)NCC#N)O |
