HuagongsheHuagongshe Chemistry Print Report · For research reference only
(S)-2-acetoxy-4-methoxybutanoic acid
Identifiers & Physical Properties
| Molecular formula | C7H12O5 |
|---|---|
| Average molar mass | 176.17 g/mol |
| SMILES | COCC[C@H](OC(C)=O)C(=O)O |
| InChIKey | AAJSSJPXQWNCKZ-LURJTMIESA-N |
| PubChem CID | 57504606 |
Chemical & Physical Properties
| XLogP | 0 |
|---|---|
| Topological polar surface area | 72.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 6 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 165 |