![3-[1-(2-Methoxyphenyl)-2-oxocyclohexyl]propanenitrile structure](/static/products/7401/7401-01-6.webp)
3-[1-(2-Methoxyphenyl)-2-oxocyclohexyl]propanenitrile
3-[1-(2-methoxyphenyl)-2-oxocyclohexyl]propanenitrile
Also Known As: 3-[1-(2-methoxyphenyl)-2-oxocyclohexyl]propanenitrile|CYCLOHEXANEPROPANENITRILE,1-(2-METHOXYPHENYL)-2-OXO-
CAS: 7401-01-6
| Molecular Formula | C16H19NO2 |
|---|---|
| Molecular Weight | 257.14157 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.14157 |
| Monoisotopic Mass | 257.14157 |
| Heavy Atoms | 19 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 7401-01-6 |
|---|---|
| SMILES | COC1=CC=CC=C1C2(CCCCC2=O)CCC#N |
| InChIKey | ZRLJEKRKBSPTAS-UHFFFAOYSA-N |
Product Overview
3-[1-(2-Methoxyphenyl)-2-oxocyclohexyl]propanenitrile (CAS 7401-01-6), with molecular formula C16H19NO2 and molecular weight 257.14157 g/mol. IUPAC: 3-[1-(2-methoxyphenyl)-2-oxocyclohexyl]propanenitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
3-[1-(2-Methoxyphenyl)-2-oxocyclohexyl]propanenitrile is a custom synthesis product. We offer services from milligram to kilogram scale.
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