Base information
| Cat. No. | |
| CAS No. | 2215-21-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.28 |
| Exact Mass | 222.126 |
| XLogP3 | 3.3372 |
| Mr | 64.5843 |
| PSA | 57.53 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 34 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(c1cc(C(C)C)c(c(c1)C(=O)O)O)C |
