methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Chemical Structure Depiction of
methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Compound characteristics
| Compound ID: | D715-2523 |
| Compound Name: | methyl (6,7-dihydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate |
| Molecular Weight: | 264.23 |
| Molecular Formula: | C13 H12 O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)O)O |
| Stereo: | ACHIRAL |
| logP: | 1.1868 |
| logD: | 1.1251 |
| logSw: | -1.6757 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.835 |
| InChI Key: | IHXHDAMLAGCPEJ-UHFFFAOYSA-N |