Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo-
1-(3,4-dimethoxyphenyl)-4-oxocyclohexane-1-carbonitrile
Also Known As: Oprea1_491919|Oprea1_769816|1-(3,4-dimethoxyphenyl)-4-oxocyclohexanecarbonitrile|1-(3,4-dimethoxyphenyl)-4-oxocyclohexane-1-carbonitrile|Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo-|4-cyano-4-(3,4-dimethoxyphenyl)cyclohexanone|BAS 00335739|4-(3,4-Dimethoxyphenyl)-4-cyanocyclohexanone|J2.089.978F|1-(3,4-Dimethoxy-phenyl)-4-oxo-cyclohexanecarbonitrile|AG-690/09301016|SR-01000480357-1|2H-Inden-2-one,1,3-diethyl-1,4,5,6,7,7a-hexahydro
| Molecular Formula | C15H17NO3 |
|---|---|
| Molecular Weight | 259.12085 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.12085 |
| Monoisotopic Mass | 259.12085 |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 51533-65-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2(CCC(=O)CC2)C#N)OC |
| InChIKey | DGEFSVRXOCLHAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo- (CAS 51533-65-4), with molecular formula C15H17NO3 and molecular weight 259.12085 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-4-oxocyclohexane-1-carbonitrile.
Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo- is a custom synthesis product. We offer services from milligram to kilogram scale.
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