Base information
| Cat. No. | |
| CAS No. | 3647-74-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.173 |
| Exact Mass | 163.063 |
| XLogP3 | 0.4099 |
| Mr | 45.6777 |
| PSA | 46.17 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 23 |
| Ring number | 3 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1NC(=O)C2C1C1C=CC2C1 |
