Base information
| Cat. No. | |
| CAS No. | 1031820-10-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12N2O3 |
| Molecular Weight | 196.203 |
| Exact Mass | 196.085 |
| XLogP3 | 0.52648 |
| Mr | 48.9387 |
| PSA | 79.19 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 25 |
| Ring number | 0 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CC(=C)C(=O)OCCNC(=O)CC#N |
