methyl 2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 2H-1,3-benzodioxole-5-carboxylate
methyl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | Y204-3707 |
| Compound Name: | methyl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 180.16 |
| Molecular Formula: | C9 H8 O4 |
| Smiles: | COC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0828 |
| logD: | 2.0828 |
| logSw: | -2.5431 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.528 |
| InChI Key: | QCHGUEIECOASJU-UHFFFAOYSA-N |