HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzenepropanoic acid, tetrahydro-3-methyl-3-furanyl ester
Identifiers & Physical Properties
| CAS No. | 652161-29-0 |
|---|---|
| Molecular formula | C14H18O3 |
| Average molar mass | 234.29 g/mol |
| Monoisotopic mass | 234.12559443 g/mol |
| SMILES | CC1(OC(=O)CCc2ccccc2)CCOC1 |
| InChIKey | HTAFYUJVPHNKRB-UHFFFAOYSA-N |
| PubChem CID | 11368308 |
| DTXSID | DTXSID90463766 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 35.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 258 |