3,7,9-trioxatricyclo[4.2.1.0~2,4~]nonan-5-yl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3,7,9-trioxatricyclo[4.2.1.0~2,4~]nonan-5-yl 4-methylbenzene-1-sulfonate
3,7,9-trioxatricyclo[4.2.1.0~2,4~]nonan-5-yl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8009-8666 |
| Compound Name: | 3,7,9-trioxatricyclo[4.2.1.0~2,4~]nonan-5-yl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 298.31 |
| Molecular Formula: | C13 H14 O6 S |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)OC1C2C(C3COC1O3)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1399 |
| logD: | 1.1399 |
| logSw: | -2.1238 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.465 |
| InChI Key: | XIOHREILWINAMO-UHFFFAOYSA-N |