Base information
| Cat. No. | |
| CAS No. | 627081-12-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.264 |
| Exact Mass | 236.105 |
| XLogP3 | 0.2846 |
| Mr | 61.2746 |
| PSA | 62.22 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 35 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O[C@@H]1Cc2cccc(c2C[C@@H]1O)OCC1CO1 |
