5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid
Chemical Structure Depiction of
5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid
5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid
Compound characteristics
| Compound ID: | 8011-2595 |
| Compound Name: | 5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid |
| Molecular Weight: | 267.24 |
| Molecular Formula: | C12 H13 N O6 |
| Smiles: | CC1(COC(c2ccc(cc2)[N+]([O-])=O)OC1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3388 |
| logD: | -1.1238 |
| logSw: | -1.8639 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.44 |
| InChI Key: | RHBFUMRYUOSFNM-UHFFFAOYSA-N |