Base information
| Cat. No. | |
| CAS No. | 54945-72-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.252 |
| Exact Mass | 237.1 |
| XLogP3 | 0.4413 |
| Mr | 64.9713 |
| PSA | 78.79 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 33 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC(CO)COc1cccc2c1CCC(=O)N2 |
