Base information
| Cat. No. | |
| CAS No. | 1104637-53-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H9BNO4 |
| Molecular Weight | 181.962 |
| Exact Mass | 182.062 |
| XLogP3 | -1.2699 |
| Mr | 48.1687 |
| PSA | 80.31 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C#[C-][B+3]12[O-]C(=O)CN2(C)CC(=O)[O-]1 |
