The Cyclohexaneacetic acid,a-cyano-, ethyl ester with CAS registry number of 3213-50-1 is also known as Ethyl cyano(cyclohexyl)acetate. The IUPAC name is Ethyl 2-cyano-2-cyclohexylacetate. In addition, the formula is C11H17NO2 and the molecular weight is 195.26.
Physical properties about Cyclohexaneacetic acid,a-cyano-, ethyl ester are: (1)ACD/LogP: 2.47 ; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.469; (5)Molar Refractivity: 52.48 cm3; (6)Molar Volume: 188.4 cm3; (7)Surface Tension: 39.3 dyne/cm; (8)Density: 1.036 g/cm3; (9)Flash Point: 142.9 °C; (10)Enthalpy of Vaporization: 54.83 kJ/mol; (11)Boiling Point: 307.7 °C at 760 mmHg; (12)Vapour Pressure: 0.000713 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(OCC)C(C#N)C1CCCCC1
2. InChI: InChI=1/C11H17NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h9-10H,2-7H2,1H3
3. InChIKey: NUYCINUWJWAOFR-UHFFFAOYAS
4. Std. InChI: InChI=1S/C11H17NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h9-10H,2-7H2,1H3
5. Std. InChIKey: NUYCINUWJWAOFR-UHFFFAOYSA-N
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