Base information
| Cat. No. | |
| CAS No. | 2231-66-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12O4 |
| Molecular Weight | 184.189 |
| Exact Mass | 184.074 |
| XLogP3 | 1.1589 |
| Mr | 45.397 |
| PSA | 52.6 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | CC(=C1C(=O)OC(OC1=O)(C)C)C |
