Base information
| Cat. No. | |
| CAS No. | 72830-07-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H11NO3 |
| Molecular Weight | 169.178 |
| Exact Mass | 169.074 |
| XLogP3 | 1.4407 |
| Mr | 45.554 |
| PSA | 43.92 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1c(OC)cc[n+](c1C)[O-] |
