methyl 2-(3-oxobutyl)benzoate
Chemical Structure Depiction of
methyl 2-(3-oxobutyl)benzoate
methyl 2-(3-oxobutyl)benzoate
Compound characteristics
| Compound ID: | 5989-2257 |
| Compound Name: | methyl 2-(3-oxobutyl)benzoate |
| Molecular Weight: | 206.24 |
| Molecular Formula: | C12 H14 O3 |
| Smiles: | CC(CCc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9741 |
| logD: | 1.9741 |
| logSw: | -2.3278 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.747 |
| InChI Key: | BOLLAGMWXGVAOD-UHFFFAOYSA-N |