2-[(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoic acid
Chemical Structure Depiction of
2-[(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoic acid
2-[(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoic acid
Compound characteristics
| Compound ID: | D715-2600 |
| Compound Name: | 2-[(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoic acid |
| Molecular Weight: | 324.76 |
| Molecular Formula: | C16 H17 Cl O5 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(C)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2376 |
| logD: | 0.2382 |
| logSw: | -4.158 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.93 |
| InChI Key: | IXAQVAQOTRZLND-VIFPVBQESA-N |