Base information
| Cat. No. | |
| CAS No. | 68555-63-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H10O4 |
| Molecular Weight | 182.173 |
| Exact Mass | 182.058 |
| XLogP3 | 1.2636 |
| Mr | 46.25 |
| PSA | 56.51 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCC(=O)Oc1c(C)occc1=O |
