Ethyl α-cyano-α-ethylbenzeneacetate

C₁₃H₁₅NO₂CAS 718-71-8217.27 g/mol

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Properties

Molecular formula: C₁₃H₁₅NO₂
Molar mass: 217.27 g/mol
Exact mass: 217.1103 Da
Density: 1.036–1.04 g/mL (at 20 °C)
Boiling point: 100–140 °C (at 0.2 Torr)
logP: 2.42Crippen estimate
Polar surface area: 50.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

718-71-8

SMILES

CCOC(=O)C(C#N)(CC)c1ccccc1

InChIKey

VCJAUIYSQAXNGB-UHFFFAOYSA-N

InChI

InChI=1S/C13H15NO2/c1-3-13(10-14,12(15)16-4-2)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3

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Names and synonyms

4 names

Benzeneacetic acid, α-cyano-α-ethyl-, ethyl ester
Butyric acid, 2-cyano-2-phenyl-, ethyl ester
Ethyl cyanoethylphenylacetate
NSC 69121

Work with Ethyl α-cyano-α-ethylbenzeneacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

7-Ethylamino-4,6-dimethylcoumarin26078-25-1 (-)-Securinine5610-40-2 8-Hydroxyjulolidine-9-carboxaldehyde63149-33-7 4-(4-Oxocyclohexyl)benzamide73204-06-5 (±)-Glutethimide77-21-4

Elsewhere

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