Base information
| Cat. No. | |
| CAS No. | 70988-04-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.21 |
| Exact Mass | 205.074 |
| XLogP3 | 1.80018 |
| Mr | 54.1765 |
| PSA | 59.32 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1cc(cc(c1)OC)C(=O)CC#N |
