HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Hydroxy-2',5'-dimethoxy[1,1'-biphenyl]-3-carbonitrile
![4-Hydroxy-2',5'-dimethoxy[1,1'-biphenyl]-3-carbonitrile molecular structure](/img/chemical/53220080.png)
Identifiers & Physical Properties
| CAS No. | 1261975-58-9 |
|---|---|
| Molecular formula | C15H13NO3 |
| Average molar mass | 255.27 g/mol |
| Monoisotopic mass | 255.08954328 g/mol |
| SMILES | COc1ccc(OC)c(-c2ccc(O)c(C#N)c2)c1 |
| InChIKey | HHGAQLYDRIOQBF-UHFFFAOYSA-N |
| PubChem CID | 53220080 |
| DTXSID | DTXSID30684857 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 62.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 338 |