Base information
| Cat. No. | |
| CAS No. | 168762-94-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H13NO4 |
| Molecular Weight | 199.204 |
| Exact Mass | 199.084 |
| XLogP3 | 0.99 |
| Mr | 49.8245 |
| PSA | 75.63 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 26 |
| Ring number | 0 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | O=C(OC(C)(C)C)NCC#CC(=O)O |
