Base information
| Cat. No. | |
| CAS No. | 3057-91-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12O4 |
| Molecular Weight | 184.189 |
| Exact Mass | 184.074 |
| XLogP3 | 0.962 |
| Mr | 44.4326 |
| PSA | 74.6 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C1CC2(C1)CC(C2)C(=O)O |
