Base information
| Cat. No. | |
| CAS No. | 79127-35-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H9NO5 |
| Molecular Weight | 223.182 |
| Exact Mass | 223.048 |
| XLogP3 | -0.4977 |
| Mr | 49.3712 |
| PSA | 98.85 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 27 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | NC(=O)C1=C[C@H]2[C@H]3[C@@H](O1)OC(=O)[C@]2(O)C=C3 |
