Base information
| Cat. No. | |
| CAS No. | 1072946-59-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BNO4 |
| Molecular Weight | 166.927 |
| Exact Mass | 167.039 |
| XLogP3 | -1.5404 |
| Mr | 41.0219 |
| PSA | 90.65 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OB(c1ccnc(c1)C(=O)O)O |
