HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(2-Decanoylcarbohydrazonoyl)-2-ethoxyphenyl benzoate
4-(2-Decanoylcarbohydrazonoyl)-2-ethoxyphenyl benzoate · Decanoic acid, 2-[[4-(benzoyloxy)-3-ethoxyphenyl]methylene]hydrazide
Identifiers & Physical Properties
| CAS No. | 880073-36-9 |
|---|---|
| Molecular formula | C26H34N2O4 |
| Average molar mass | 438.6 g/mol |
| Monoisotopic mass | 438.25185757 g/mol |
| SMILES | CCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OCC)c1 |
| InChIKey | VFPYZFXUJBQOSI-NHFJDJAPSA-N |
| PubChem CID | 9679883 |
| EC No. | 128-332-2 |
Chemical & Physical Properties
| XLogP | 7 |
|---|---|
| Topological polar surface area | 77 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 15 |
| Heavy atoms | 32 |
| Formal charge | 0 |
| Complexity | 560 |
| Density | 1.072±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 13.365±0.46(predicted) |