Base information
| Cat. No. | |
| CAS No. | 72764-93-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.157 |
| Exact Mass | 161.048 |
| XLogP3 | 0.6061 |
| Mr | 43.071 |
| PSA | 39.19 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COC(=O)C#Cc1ccccn1 |
