Base information
| Cat. No. | |
| CAS No. | 519-04-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.252 |
| Exact Mass | 221.105 |
| XLogP3 | 1.9594 |
| Mr | 63.1457 |
| PSA | 39.72 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 33 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc2CCN[C@H](c2c2c1OCO2)C |
