Base information
| Cat. No. | |
| CAS No. | 1394953-96-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H17NO3 |
| Molecular Weight | 223.268 |
| Exact Mass | 223.121 |
| XLogP3 | 2.434 |
| Mr | 61.2365 |
| PSA | 48.42 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 33 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CC(Oc1cncc(c1)C(=O)OC(C)C)C |