Base information
| Cat. No. | |
| CAS No. | 1082207-50-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12O3 |
| Molecular Weight | 168.19 |
| Exact Mass | 168.079 |
| XLogP3 | 1.3865 |
| Mr | 44.5008 |
| PSA | 54.37 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | C=CC1(CCC(=O)CC1)C(=O)O |
