Base information
| Cat. No. | |
| CAS No. | 85968-72-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.252 |
| Exact Mass | 221.105 |
| XLogP3 | 1.9942 |
| Mr | 62.0267 |
| PSA | 55.4 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 31 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1NC(=O)CC(=O)C)C |
