Base information
| Cat. No. | |
| CAS No. | 15450-69-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.173 |
| Exact Mass | 163.063 |
| XLogP3 | 0.8939 |
| Mr | 44.9162 |
| PSA | 49.93 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1CCCc2c1ccc(=O)[nH]2 |
