Base information
| Cat. No. | |
| CAS No. | 15519-86-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H9NO4 |
| Molecular Weight | 159.14 |
| Exact Mass | 159.053 |
| XLogP3 | -0.8734 |
| Mr | 36.4173 |
| PSA | 86.63 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 19 |
| Ring number | 0 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OCCNC(=O)/C=C\C(=O)O |
