HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-[4-(3'-Methylbiphenyl-2-yl)but-3-en-1-ynyl]benzoic acid
![4-[4-(3'-Methylbiphenyl-2-yl)but-3-en-1-ynyl]benzoic acid molecular structure](/img/chemical/54179556.png)
Identifiers & Physical Properties
| Molecular formula | C24H18O2 |
|---|---|
| Average molar mass | 338.4 g/mol |
| Monoisotopic mass | 338.13067981 g/mol |
| SMILES | Cc1cccc(-c2ccccc2C=CC#Cc2ccc(C(=O)O)cc2)c1 |
| InChIKey | PAVSEIOUSPZDRY-UHFFFAOYSA-N |
| PubChem CID | 54179556 |
Chemical & Physical Properties
| XLogP | 6.1 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 555 |