Base information
| Cat. No. | |
| CAS No. | 116378-40-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8BNO4 |
| Molecular Weight | 180.954 |
| Exact Mass | 181.055 |
| XLogP3 | -0.772 |
| Mr | 47.6313 |
| PSA | 103.78 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Nc1cc(cc(c1)C(=O)O)B(O)O |
