3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid
Chemical Structure Depiction of
3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid
3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid
Compound characteristics
| Compound ID: | Y041-3984 |
| Compound Name: | 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid |
| Molecular Weight: | 194.18 |
| Molecular Formula: | C10 H10 O4 |
| Smiles: | C1COc2ccc(cc2OC1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5439 |
| logD: | -0.504 |
| logSw: | -1.7004 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.801 |
| InChI Key: | MQSSBVLREFSMDP-UHFFFAOYSA-N |