Base information
| Cat. No. | |
| CAS No. | 1253791-85-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H8N2O3 |
| Molecular Weight | 216.193 |
| Exact Mass | 216.053 |
| XLogP3 | 0.2913 |
| Mr | 58.543 |
| PSA | 65.1 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 25 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | C#CCn1c(=O)oc(=O)c2c1nc(C)cc2 |
