HuagongsheHuagongshe Chemistry Print Report · For research reference only
Butanedioic acid, heptyl phenylmethyl ester
Identifiers & Physical Properties
| CAS No. | 119450-15-6 |
|---|---|
| Molecular formula | C18H26O4 |
| Average molar mass | 306.4 g/mol |
| Monoisotopic mass | 306.18310931 g/mol |
| SMILES | CCCCCCCOC(=O)CCC(=O)OCc1ccccc1 |
| InChIKey | FUJUROXWLMHXBQ-UHFFFAOYSA-N |
| PubChem CID | 528262 |
| DTXSID | DTXSID60335986 |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 52.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 13 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 308 |