Base information
| Cat. No. | |
| CAS No. | 78977-89-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H14O3 |
| Molecular Weight | 230.259 |
| Exact Mass | 230.094 |
| XLogP3 | 2.5862 |
| Mr | 65.3918 |
| PSA | 54.37 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 32 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CC1=C(CCC1=O)c1ccc(cc1)C |
