Base information
| Cat. No. | |
| CAS No. | 111291-97-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H14O2 |
| Molecular Weight | 202.249 |
| Exact Mass | 202.099 |
| XLogP3 | 2.6232 |
| Mr | 60.1155 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 29 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | C#Cc1ccc(cc1)C(=O)OC(C)(C)C |
