Base information
| Cat. No. | |
| CAS No. | 1220973-98-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.21 |
| Exact Mass | 205.074 |
| XLogP3 | 2.04528 |
| Mr | 54.2223 |
| PSA | 70.32 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCCOc1ccc(cc1C#N)C(=O)O |
