Base information
| Cat. No. | |
| CAS No. | 17168-45-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.189 |
| Exact Mass | 165.079 |
| XLogP3 | 1.5376 |
| Mr | 45.7455 |
| PSA | 33.45 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CN(C=CC(=O)c1ccco1)C |
