Base information
| Cat. No. | |
| CAS No. | 52688-11-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.205 |
| Exact Mass | 167.095 |
| XLogP3 | 1.77598 |
| Mr | 44.297 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#CCC(=O)OC1CCCCC1 |
