methyl (7,8-dihydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Chemical Structure Depiction of
methyl (7,8-dihydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
methyl (7,8-dihydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Compound characteristics
| Compound ID: | Y040-6768 |
| Compound Name: | methyl (7,8-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)Oc2c1ccc(c2O)O |
| Stereo: | ACHIRAL |
| logP: | 1.5822 |
| logD: | 1.5205 |
| logSw: | -2.2135 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.451 |
| InChI Key: | IOAKZWFGCIGQCT-UHFFFAOYSA-N |