methyl 4-[3-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-3-oxoprop-1-en-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-3-oxoprop-1-en-1-yl]benzoate
methyl 4-[3-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-3-oxoprop-1-en-1-yl]benzoate
Compound characteristics
| Compound ID: | K229-1048 |
| Compound Name: | methyl 4-[3-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-3-oxoprop-1-en-1-yl]benzoate |
| Molecular Weight: | 368.77 |
| Molecular Formula: | C20 H13 Cl O5 |
| Smiles: | COC(c1ccc(/C=C/C(C2=Cc3cc(ccc3OC2=O)[Cl])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3331 |
| logD: | 4.3331 |
| logSw: | -4.9037 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.309 |
| InChI Key: | MEHFYHIBOPGTFK-UHFFFAOYSA-N |