Base information
| Cat. No. | |
| CAS No. | 1016644-38-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6BNO4 |
| Molecular Weight | 178.938 |
| Exact Mass | 179.039 |
| XLogP3 | -1.1991 |
| Mr | 46.6603 |
| PSA | 86.46 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OB(c1ccc2c(c1)oc(=O)[nH]2)O |
