3-bromo-2-oxo-2H-pyran-5-carboxylic acid
Chemical Structure Depiction of
3-bromo-2-oxo-2H-pyran-5-carboxylic acid
3-bromo-2-oxo-2H-pyran-5-carboxylic acid
Compound characteristics
| Compound ID: | 8012-0272 |
| Compound Name: | 3-bromo-2-oxo-2H-pyran-5-carboxylic acid |
| Molecular Weight: | 218.99 |
| Molecular Formula: | C6 H3 Br O4 |
| Smiles: | C1C(=COC(C=1[Br])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3635 |
| logD: | -6.154 |
| logSw: | -0.1977 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.501 |
| InChI Key: | OLFBKUQZKITGSJ-UHFFFAOYSA-N |