methyl 2-[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoate
Chemical Structure Depiction of
methyl 2-[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoate
methyl 2-[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoate
Compound characteristics
| Compound ID: | 4182-0175 |
| Compound Name: | methyl 2-[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoate |
| Molecular Weight: | 346.42 |
| Molecular Formula: | C20 H26 O5 |
| Smiles: | CCCCCCC1=C(C)c2ccc(cc2OC1=O)OC(C)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0209 |
| logD: | 5.0209 |
| logSw: | -4.8504 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.123 |
| InChI Key: | WNTZREHBSYHJTF-AWEZNQCLSA-N |