3-ethyl-8-iodo-4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
3-ethyl-8-iodo-4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate
3-ethyl-8-iodo-4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | 3448-1753 |
| Compound Name: | 3-ethyl-8-iodo-4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 372.16 |
| Molecular Formula: | C14 H13 I O4 |
| Smiles: | CCC1=C(C)c2ccc(c(c2OC1=O)I)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1902 |
| logD: | 3.1902 |
| logSw: | -3.3124 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.682 |
| InChI Key: | ZRELADCMDNXZAW-UHFFFAOYSA-N |