HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(((Phenylacetyl)glycyl)oxy)benzoic acid
3-(((phenylacetyl)glycyl)oxy)benzoic acid
Identifiers & Physical Properties
| CAS No. | 108695-68-7 |
|---|---|
| Molecular formula | C17H15NO5 |
| Average molar mass | 313.3 g/mol |
| Monoisotopic mass | 313.09502258 g/mol |
| SMILES | O=C(Cc1ccccc1)NCC(=O)Oc1cccc(C(=O)O)c1 |
| InChIKey | YVDBYFABAPNOIJ-UHFFFAOYSA-N |
| PubChem CID | 194792 |
| DTXSID | DTXSID80148712 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 92.7 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 7 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 431 |