Base information
| Cat. No. | |
| CAS No. | 150517-80-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H11NO3 |
| Molecular Weight | 169.178 |
| Exact Mass | 169.074 |
| XLogP3 | 1.5713 |
| Mr | 42.8493 |
| PSA | 63.33 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(Cc1onc(c1)C(=O)O)C |
