Base information
| Cat. No. | |
| CAS No. | 3689-97-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.279 |
| Exact Mass | 235.121 |
| XLogP3 | 2.2634 |
| Mr | 64.5077 |
| PSA | 47.56 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 35 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCC(=O)NC(Cc1ccc2c(c1)OCO2)C |