{4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}acetic acid
Chemical Structure Depiction of
{4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}acetic acid
{4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}acetic acid
Compound characteristics
| Compound ID: | D715-0233 |
| Compound Name: | {4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}acetic acid |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C17 H18 O5 |
| Smiles: | CC(C)=CCOc1ccc2C(C)=C(CC(O)=O)C(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2342 |
| logD: | -0.2245 |
| logSw: | -3.3172 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.962 |
| InChI Key: | HFWTWLVOTCMZBS-UHFFFAOYSA-N |