Base information
| Cat. No. | |
| CAS No. | 123257-07-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8N2O2 |
| Molecular Weight | 164.161 |
| Exact Mass | 164.059 |
| XLogP3 | 0.79828 |
| Mr | 41.5295 |
| PSA | 55.02 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#CCn1cccc1C(=O)OC |
