Base information
| Cat. No. | |
| CAS No. | 54950-20-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.173 |
| Exact Mass | 179.058 |
| XLogP3 | 0.8274 |
| Mr | 45.3305 |
| PSA | 56.26 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COC(=O)CC(=O)c1cccnc1 |
