Base information
| Cat. No. | |
| CAS No. | 21731-17-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H9NO2 |
| Molecular Weight | 115.13 |
| Exact Mass | 115.063 |
| XLogP3 | 0.7222 |
| Mr | 29.6674 |
| PSA | 52.32 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 16 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)/C=C(\N)/C |
