3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid
Chemical Structure Depiction of
3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid
3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid
Compound characteristics
| Compound ID: | 8019-8528 |
| Compound Name: | 3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid |
| Molecular Weight: | 222.19 |
| Molecular Formula: | C11 H10 O5 |
| Smiles: | COc1cc(/C=C/C(O)=O)cc2c1OCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.9687 |
| logD: | -1.2219 |
| logSw: | -1.9828 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.052 |
| InChI Key: | TWUVAPFWYKZLOT-UHFFFAOYSA-N |