Base information
| Cat. No. | |
| CAS No. | 14447-18-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.184 |
| Exact Mass | 175.063 |
| XLogP3 | 1.64348 |
| Mr | 46.863 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | N#CCC(=O)OCc1ccccc1 |
