HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(2-Phenyl-1,3-benzoxazol-5-yl)propanoic acid
Identifiers & Physical Properties
| CAS No. | 51234-26-5 |
|---|---|
| Molecular formula | C16H13NO3 |
| Average molar mass | 267.28 g/mol |
| Monoisotopic mass | 267.08954328 g/mol |
| SMILES | CC(C(=O)O)c1ccc2oc(-c3ccccc3)nc2c1 |
| InChIKey | KIUPORFCHKEHRJ-UHFFFAOYSA-N |
| PubChem CID | 39939 |
| DTXSID | DTXSID40965503 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 63.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 354 |