Base information
| Cat. No. | |
| CAS No. | 32804-79-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H11NO3 |
| Molecular Weight | 157.167 |
| Exact Mass | 157.074 |
| XLogP3 | 0.47818 |
| Mr | 37.882 |
| PSA | 59.32 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 21 |
| Ring number | 0 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COCC(OC(=O)CC#N)C |
