5-{[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}furan-2-carboxylic acid
Chemical Structure Depiction of
5-{[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}furan-2-carboxylic acid
5-{[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}furan-2-carboxylic acid
Compound characteristics
| Compound ID: | Y040-9028 |
| Compound Name: | 5-{[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}furan-2-carboxylic acid |
| Molecular Weight: | 342.35 |
| Molecular Formula: | C19 H18 O6 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OCc1ccc(C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.5278 |
| logD: | -0.4561 |
| logSw: | -3.5727 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.123 |
| InChI Key: | DPVAVAAUHVKPBJ-UHFFFAOYSA-N |