Base information
| Cat. No. | |
| CAS No. | 69316-08-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H9NO3 |
| Molecular Weight | 203.194 |
| Exact Mass | 203.058 |
| XLogP3 | 1.56958 |
| Mr | 52.472 |
| PSA | 67.16 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc(cc1)C(=O)CC#N |
