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CAS No.: | 5400-79-3 |
---|---|
Name: | ethyl 3-oxocyclopentane-1-carboxylate |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C8H12O3 |
Molecular Weight: | 156.181 |
Synonyms: | Ethyl 3-oxocyclopentanecarboxylate;3-Oxo-cyclopentanecarboxylic acid ethyl ester; |
Density: | 1.12 g/cm3 |
Boiling Point: | 228.2 °C at 760 mmHg |
Flash Point: | 93.4 °C |
PSA: | 43.37000 |
LogP: | 0.91870 |
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The CAS registry number of Cyclopentanecarboxylicacid, 3-oxo-, ethyl ester is 5400-79-3. In addition, the molecular formula is C8H12O3 and the molecular weight is 156.18. The systematic name is ethyl 3-oxocyclopentanecarboxylate. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties of Cyclopentanecarboxylicacid, 3-oxo-, ethyl ester: (1)ACD/LogP: 0.05; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 43.37 Å2; (5)Index of Refraction: 1.468; (6)Molar Refractivity: 38.77 cm3; (7)Molar Volume: 139.3 cm3; (8)Polarizability: 15.37 ×10-24cm3; (9)Surface Tension: 39.5 dyne/cm; (10)Density: 1.12 g/cm3; (11)Flash Point: 93.4 °C; (12)Enthalpy of Vaporization: 46.48 kJ/mol; (13)Boiling Point: 228.2 °C at 760 mmHg; (14)Vapour Pressure: 0.0743 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCC(C(=O)OCC)C1
(2)InChI: InChI=1/C8H12O3/c1-2-11-8(10)6-3-4-7(9)5-6/h6H,2-5H2,1H3
(3)InChIKey: VGJWAMLZUUGEQY-UHFFFAOYAV