Base information
| Cat. No. | |
| CAS No. | 64987-77-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.189 |
| Exact Mass | 181.074 |
| XLogP3 | 2.2138 |
| Mr | 51.0058 |
| PSA | 66.05 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OCC(c1ccccc1N(=O)=O)C |
