4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-en-1-yl]benzoic acid
Chemical Structure Depiction of
4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-en-1-yl]benzoic acid
4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-en-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 4031-0592 |
| Compound Name: | 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-en-1-yl]benzoic acid |
| Molecular Weight: | 310.3 |
| Molecular Formula: | C18 H14 O5 |
| Smiles: | C1COc2cc(ccc2O1)C(/C=C/c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7285 |
| logD: | -0.8783 |
| logSw: | -2.914 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.445 |
| InChI Key: | MQJLFZGKJALFIA-UHFFFAOYSA-N |