Base information
| Cat. No. | |
| CAS No. | 31518-14-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8O3 |
| Molecular Weight | 128.126 |
| Exact Mass | 128.047 |
| XLogP3 | 0.7653 |
| Mr | 31.2248 |
| PSA | 46.53 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C1=CCCCO1 |
