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67354-35-2

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Basic Information
CAS No.: 67354-35-2
Name: Ethyl 4-tert-butoxyacetoacetate
Article Data: 21
Molecular Structure:
Molecular Structure of 67354-35-2 (Ethyl 4-tert-butoxyacetoacetate)
Formula: C10H18O4
Molecular Weight: 202.251
Synonyms: 4-tert-Butoxy-3-oxobutyricacid ethyl ester;Ethyl 4-tert-butoxyacetoacetate;
Density: 1.008 g/cm3
Boiling Point: 267.544 °C at 760 mmHg
Flash Point: 111.382 °C
PSA: 52.60000
LogP: 1.32380
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Specification

The Ethyl 4-tert-butoxyacetoacetate, with the CAS registry number 67354-35-2, is also known as Butanoic acid,4-(1,1-dimethylethoxy)-3-oxo-, ethyl ester. This chemical's molecular formula is C10H18O4 and molecular weight is 202.25. What's more, its systematic name is called Ethyl 4-tert-butoxy-3-oxobutanoate.

Physical properties about Ethyl 4-tert-butoxyacetoacetate are: (1) ACD/LogP: 1.50; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 4; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 7; (6) Polar Surface Area: 52.6 Å2; (7) Index of Refraction: 1.431; (8) Molar Refractivity: 51.893 cm3; (9) Molar Volume: 200.616 cm3; (10) Surface Tension: 31.311 dyne/cm; (11) Density: 1.008 g/cm3; (12) Flash Point: 111.382 °C; (13) Enthalpy of Vaporization: 50.558 kJ/mol; (14) Boiling Point: 267.544 °C at 760 mmHg; (15) Vapour Pressure: 0.008 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(CC(=O)OCC)COC(C)(C)C
(2) InChI: InChI=1/C10H18O4/c1-5-13-9(12)6-8(11)7-14-10(2,3)4/h5-7H2,1-4H3
(3) InChIKey: CVEFXRBXZIGLMA-UHFFFAOYAB