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| CAS No.: | 15971-92-3 |
|---|---|
| Name: | 3-CYCLOHEXYL-3-OXO-PROPIONIC ACID ETHYL ESTER |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C11H18O3 |
| Molecular Weight: | 198.262 |
| Synonyms: | ethyl 3-cyclohexyl-3-oxopropanoate;ethyl 3-cyclohexyl-3-oxo-propanoate; |
| Density: | 1.039 g/cm3 |
| Boiling Point: | 275.2 °C at 760 mmHg |
| Flash Point: | 115.8 °C |
| PSA: | 43.37000 |
| LogP: | 2.08900 |
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Specification
The 3-Cyclohexyl-3-oxo-propionic acid ethyl ester is an organic compound with the formula C11H18O3. The IUPAC name of this chemical is Ethyl 3-cyclohexyl-3-oxopropanoate. With the CAS registry number 15971-92-3, it is also named as Ethyl-cyclohexynoyl acetate. Besides, its molecular weight is 198.26.
Physical properties about 3-Cyclohexyl-3-oxo-propionic acid ethyl ester are: (1)ACD/LogP: 2.78; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 43.37 Å2; (5)Index of Refraction: 1.463; (6)Molar Refractivity: 52.54 cm3; (7)Molar Volume: 190.7 cm3; (8)Polarizability: 20.83×10-24 cm3; (9)Surface Tension: 36.7 dyne/cm; (10)Density: 1.039 g/cm3; (11)Flash Point: 115.8 °C; (12)Enthalpy of Vaporization: 51.36 kJ/mol; (13)Boiling Point: 275.2 °C at 760 mmHg; (14)Vapour Pressure: 0.00516 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H18O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h9H,2-8H2,1H3
(2)InChIKey:ASYASKBLHYSMEG-UHFFFAOYAI
(3)Std. InChI: InChI=1S/C11H18O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h9H,2-8H2,1H3
(4)Std. InChIKey: ASYASKBLHYSMEG-UHFFFAOYSA-N