Base information
| Cat. No. | |
| CAS No. | 25559-38-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NO2 |
| Molecular Weight | 149.147 |
| Exact Mass | 149.048 |
| XLogP3 | 1.7763 |
| Mr | 41.7242 |
| PSA | 46.17 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=CNc1ccccc1C=O |
