Base information
| Cat. No. | |
| CAS No. | 108249-48-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.157 |
| Exact Mass | 180.042 |
| XLogP3 | 1.4968 |
| Mr | 43.5208 |
| PSA | 67.51 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1oc2c(c1)C(=O)CCC2 |
