1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]pyridin-1-ium--bromide (1/1)
1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0685-0240 |
| Compound Name: | 1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 346.18 |
| Molecular Formula: | C16 H12 N O3 |
| Salt: | Br- |
| Smiles: | C(C(C1=Cc2ccccc2OC1=O)=O)[n+]1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7044 |
| logD: | 1.7044 |
| logSw: | -2.0045 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.2 |
| InChI Key: | FIRNZAYVDYLWKV-UHFFFAOYSA-N |