3-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
Chemical Structure Depiction of
3-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
3-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
Compound characteristics
| Compound ID: | 8019-4631 |
| Compound Name: | 3-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid |
| Molecular Weight: | 252.26 |
| Molecular Formula: | C13 H16 O5 |
| Smiles: | COc1cc2c(cc1CCC(O)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.2738 |
| logD: | -1.5271 |
| logSw: | -1.4106 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.407 |
| InChI Key: | GJDCPYCUMMYZAZ-UHFFFAOYSA-N |