methyl 3-(cyanomethyl)benzoate
Chemical Structure Depiction of
methyl 3-(cyanomethyl)benzoate
methyl 3-(cyanomethyl)benzoate
Compound characteristics
Compound ID: | 8020-4826 |
Compound Name: | methyl 3-(cyanomethyl)benzoate |
Molecular Weight: | 175.18 |
Molecular Formula: | C10 H9 N O2 |
Smiles: | COC(c1cccc(CC#N)c1)=O |
Stereo: | ACHIRAL |
logP: | 1.6528 |
logD: | 1.6528 |
logSw: | -1.7174 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 38.904 |
InChI Key: | XSNUGLQVCGENEM-UHFFFAOYSA-N |