Base information
| Cat. No. | |
| CAS No. | 171091-84-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H13NO4 |
| Molecular Weight | 247.247 |
| Exact Mass | 247.084 |
| XLogP3 | 2.1657 |
| Mr | 66.2647 |
| PSA | 68.39 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 32 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1[nH]c2c(c1C=O)ccc(c2)OC |
