HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Ethynyl-4-hydroxy-1,3-oxazol-2(3H)-one
2(3H)-Oxazolone, 5-ethynyl-4-hydroxy- · 2(3H)-Oxazolone, 5-ethynyl-4-hydroxy- (9CI)
Identifiers & Physical Properties
| CAS No. | 75610-96-7 |
|---|---|
| Molecular formula | C5H3NO3 |
| Average molar mass | 125.08 g/mol |
| Monoisotopic mass | 125.01129296 g/mol |
| SMILES | C#Cc1oc(=O)[nH]c1O |
| InChIKey | XLYPVHLKQVJTMP-UHFFFAOYSA-N |
| PubChem CID | 45079110 |
| DTXSID | DTXSID00663654 |
Chemical & Physical Properties
| XLogP | -0.2 |
|---|---|
| Topological polar surface area | 58.6 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 232 |