Base information
| Cat. No. | |
| CAS No. | 30988-17-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H5NO3 |
| Molecular Weight | 115.087 |
| Exact Mass | 115.027 |
| XLogP3 | -0.5048 |
| Mr | 24.8845 |
| PSA | 55.73 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 12 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)CN=C=O |
