Base information
| Cat. No. | |
| CAS No. | 787591-35-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H18BNO4 |
| Molecular Weight | 251.087 |
| Exact Mass | 251.133 |
| XLogP3 | -0.9847 |
| Mr | 72.5766 |
| PSA | 62.16 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OB(c1cccc(c1)OCCN1CCOCC1)O |
