Base information
| Cat. No. | |
| CAS No. | 858678-71-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5NO2 |
| Molecular Weight | 147.131 |
| Exact Mass | 147.032 |
| XLogP3 | 0.5177 |
| Mr | 38.7508 |
| PSA | 50.19 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C#Cc1ccccn1 |
