HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(5-Octylpyrimidin-2-YL)benzoic acid
4-(5-Octyl-2-pyrimidinyl)-benzoic acid
Identifiers & Physical Properties
| CAS No. | 123020-87-1 |
|---|---|
| Molecular formula | C19H24N2O2 |
| Average molar mass | 312.4 g/mol |
| Monoisotopic mass | 312.18377801 g/mol |
| SMILES | CCCCCCCCc1cnc(-c2ccc(C(=O)O)cc2)nc1 |
| InChIKey | OUMYUIKKTOVBQF-UHFFFAOYSA-N |
| PubChem CID | 19083613 |
| DTXSID | DTXSID50597910 |
Chemical & Physical Properties
| XLogP | 5.4 |
|---|---|
| Topological polar surface area | 63.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 9 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 332 |