Base information
| Cat. No. | |
| CAS No. | 6826-42-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.211 |
| Exact Mass | 208.074 |
| XLogP3 | 1.9523 |
| Mr | 56.6525 |
| PSA | 77.76 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC=CCC(=O)c1c(O)ccc(c1O)O |
