3-oxo-1,3-dihydro-2-benzofuran-1-carboxylic acid
Chemical Structure Depiction of
3-oxo-1,3-dihydro-2-benzofuran-1-carboxylic acid
3-oxo-1,3-dihydro-2-benzofuran-1-carboxylic acid
Compound characteristics
| Compound ID: | Y044-6484 |
| Compound Name: | 3-oxo-1,3-dihydro-2-benzofuran-1-carboxylic acid |
| Molecular Weight: | 178.14 |
| Molecular Formula: | C9 H6 O4 |
| Smiles: | c1ccc2C(=O)OC(C(O)=O)c2c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.0588 |
| logD: | -5.0112 |
| logSw: | -1.9349 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.452 |
| InChI Key: | FRHBUJIXNLOLOF-ZETCQYMHSA-N |