5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}furan-2-carboxylic acid
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}furan-2-carboxylic acid
5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}furan-2-carboxylic acid
Compound characteristics
| Compound ID: | Y503-2316 |
| Compound Name: | 5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}furan-2-carboxylic acid |
| Molecular Weight: | 262.22 |
| Molecular Formula: | C13 H10 O6 |
| Smiles: | C(c1ccc(C(O)=O)o1)Oc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.9992 |
| logD: | -1.9848 |
| logSw: | -2.1552 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.831 |
| InChI Key: | ZHMYIAYBNPBZFI-UHFFFAOYSA-N |