2-oxo-6-(phenylsulfanyl)hexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxylic acid
Chemical Structure Depiction of
2-oxo-6-(phenylsulfanyl)hexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxylic acid
2-oxo-6-(phenylsulfanyl)hexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxylic acid
Compound characteristics
| Compound ID: | 8018-8189 |
| Compound Name: | 2-oxo-6-(phenylsulfanyl)hexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxylic acid |
| Molecular Weight: | 290.34 |
| Molecular Formula: | C15 H14 O4 S |
| Smiles: | C1C2C3C(C1C(C2OC3=O)Sc1ccccc1)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1726 |
| logD: | -0.7602 |
| logSw: | -2.3005 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.431 |
| InChI Key: | QGDUFGHDYAYOLT-UHFFFAOYSA-N |