Base information
| Cat. No. | |
| CAS No. | 213598-11-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.237 |
| Exact Mass | 219.09 |
| XLogP3 | 2.13208 |
| Mr | 58.5425 |
| PSA | 59.32 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 29 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc(c(c1)C#N)OC(C)C |
