Name: Ethyl 3-ethyl-5-methyl-4-isoxazolecarboxylate
SKU: 53064-41-8

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Basic Information

Molecular Structure:
CAS No.:	53064-41-8
Name:	Ethyl 3-ethyl-5-methyl-4-isoxazolecarboxylate
Article Data:	3

Formula:	C₉H₁₃NO₃
Molecular Weight:	183.2
Synonyms:	4-Isoxazolecarboxylic acid, 3-ethyl-5-methyl-, ethyl ester;
EINECS:	-0
Density:	1.084 g/cm³
Boiling Point:	280.5 °C at 760 mmHg
Flash Point:	123.4 °C
Safety:	24/25
PSA:	52.33000
LogP:	1.72210

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Specification

The Ethyl 3-ethyl-5-methyl-4-isoxazolecarboxylate, with the CAS registry number 53064-41-8, is also known as 4-Isoxazolecarboxylic acid, 3-ethyl-5-methyl-, ethyl ester. This chemical's molecular formula is C₉H₁₃NO₃ and molecular weight is 183.2. What's more, its IUPAC name is Ethyl 3-ethyl-5-methyl-1, 2-oxazole-4-carboxylate. During using it, you should avoid contacting with skin and eyes. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

Physical properties about Ethyl 3-ethyl-5-methyl-4-isoxazolecarboxylate are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 52.33 Å²; (7)Index of Refraction: 1.473; (8)Molar Refractivity: 47.42 cm³; (9)Molar Volume: 168.9 cm³; (10)Polarizability: 18.8×10^-24 cm³; (11)Surface Tension: 36.1 dyne/cm; (12)Density: 1.084 g/cm³; (13)Flash Point: 123.4 °C; (14)Enthalpy of Vaporization: 51.92 kJ/mol; (15)Boiling Point: 280.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00377 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1c(onc1CC)C
(2) InChI: InChI=1/C9H13NO3/c1-4-7-8(6(3)13-10-7)9(11)12-5-2/h4-5H2,1-3H3
(3) InChIKey: JDWLDZUUTIPZHV-UHFFFAOYAB