HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Carbomethoxy-4-(3-methoxyphenyl)-3-butenoic acid
Identifiers & Physical Properties
| Molecular formula | C13H14O5 |
|---|---|
| Average molar mass | 250.25 g/mol |
| SMILES | COC(=O)C(=Cc1cccc(OC)c1)CC(=O)O |
| InChIKey | ZIQIVEIHXZFPPG-UHFFFAOYSA-N |
| PubChem CID | 589607 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 72.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 6 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 334 |