4-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]benzoic acid
Chemical Structure Depiction of
4-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]benzoic acid
4-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]benzoic acid
Compound characteristics
| Compound ID: | 4181-0755 |
| Compound Name: | 4-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]benzoic acid |
| Molecular Weight: | 318.32 |
| Molecular Formula: | C17 H18 O6 |
| Smiles: | CC(C)(C)C1(C)OC(C(=Cc2ccc(cc2)C(O)=O)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3993 |
| logD: | -0.2076 |
| logSw: | -3.3502 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.756 |
| InChI Key: | HYWSUOUFDOBKBR-UHFFFAOYSA-N |