Base information
| Cat. No. | |
| CAS No. | 6935-44-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.221 |
| Exact Mass | 217.074 |
| XLogP3 | 1.86228 |
| Mr | 58.818 |
| PSA | 70.32 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)C(=Cc1ccc(cc1)O)C#N |
