5-(2H-1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid
5-(2H-1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid
Compound characteristics
| Compound ID: | 8016-2804 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid |
| Molecular Weight: | 246.22 |
| Molecular Formula: | C13 H10 O5 |
| Smiles: | Cc1c(cc(c2ccc3c(c2)OCO3)o1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9149 |
| logD: | -1.0412 |
| logSw: | -2.9362 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.816 |
| InChI Key: | LIXHYYAASODLNG-UHFFFAOYSA-N |