Base information
| Cat. No. | |
| CAS No. | 27773-86-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H19NO4 |
| Molecular Weight | 253.294 |
| Exact Mass | 253.131 |
| XLogP3 | 0.8424 |
| Mr | 72.0538 |
| PSA | 75.96 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 38 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | C/C=C(\C(=O)OCC1=CC[N+]2([C@H]1[C@H](O)CC2)[O-])/C |
