- Cyclohexaneacetic acid,1-hydroxy-
- Cyclohexaneacetic acid,4-amino-
- Cyclohexaneacetic acid,a-bromo-, ethyl ester
- Cyclohexaneacetic acid,a-cyano-, ethyl ester
- Cyclohexaneacetic acid,a-hydroxy-
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Cas Database |
| Name |
Cyclohexaneacetic acid,a-cyano-, ethyl ester |
EINECS | N/A |
| CAS No. | 3213-50-1 | Density | 1.036 g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H17NO2 | Boiling Point | 307.7 °C at 760 mmHg |
| Molecular Weight | 195.261 | Flash Point | 142.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
NSC44911;Ethyl cyano(cyclohexyl)acetate;α-Cyanocyclohexaneacetic acid ethyl ester;Ethyl 2-cyano-2-cyclohexylacetate;AC1L63GM;AC1Q63PU;AR-1I9681;CID239612; |
Article Data | 29 |
Cyclohexaneacetic acid,a-cyano-, ethyl ester Specification
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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