Base information
| Cat. No. | |
| CAS No. | 14271-73-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7NO |
| Molecular Weight | 145.158 |
| Exact Mass | 145.053 |
| XLogP3 | 1.70128 |
| Mr | 41.3515 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CC(=O)c1ccc(cc1)C |
