Base information
| Cat. No. | |
| CAS No. | 52898-06-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H9NO4 |
| Molecular Weight | 171.151 |
| Exact Mass | 171.053 |
| XLogP3 | 0.7004 |
| Mr | 39.3468 |
| PSA | 72.56 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1cc(on1)CCC(=O)O |
