3-oxo-3-phenylprop-1-en-1-yl thiocyanate
Chemical Structure Depiction of
3-oxo-3-phenylprop-1-en-1-yl thiocyanate
3-oxo-3-phenylprop-1-en-1-yl thiocyanate
Compound characteristics
| Compound ID: | 0566-0070 |
| Compound Name: | 3-oxo-3-phenylprop-1-en-1-yl thiocyanate |
| Molecular Weight: | 189.23 |
| Molecular Formula: | C10 H7 N O S |
| Smiles: | C(=C/SC#N)\C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9133 |
| logD: | 1.9133 |
| logSw: | -2.1417 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.282 |
| InChI Key: | JOWGYKSVRDSZSJ-UHFFFAOYSA-N |