Base information
| Cat. No. | |
| CAS No. | 100861-38-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2 |
| Exact Mass | 180.079 |
| XLogP3 | 1.6307 |
| Mr | 49.4448 |
| PSA | 46.53 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(ccc1C)CC(=O)O |
