Base information
| Cat. No. | |
| CAS No. | 79784-62-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.238 |
| Exact Mass | 206.094 |
| XLogP3 | 2.7577 |
| Mr | 58.0168 |
| PSA | 54.37 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 29 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCCCC(=O)c1ccc(cc1)C(=O)O |
