Name: potassium ethyl oxalate
SKU: 1906-57-6

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Basic Information

Molecular Structure:
CAS No.:	1906-57-6
Name:	potassium ethyl oxalate
Article Data:	8

Formula:	C₄H₅KO₄
Molecular Weight:	156.18
Synonyms:	Potassium ethyl oxalate;potassium 2-ethoxy-2-oxo-acetate;Oxalic acid, monoethyl ester, potassium salt;Ethanedioic acid, monoethyl ester, potassium salt;2-ethoxy-2-oxo-acetic acid;
EINECS:	217-606-8
Melting Point:	220-223℃
Boiling Point:	204.7 °C at 760 mmHg
Flash Point:	89.3 °C
PSA:	66.43000
LogP:	-1.70060

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Specification

The Ethyl potassium oxalate, with the CAS registry number 1906-57-6, is also known as potassium ethoxy(oxo)acetate. Its molecular formula is C₄H₅KO₄and its molecular weight is 157.186340. Additionally, its IUPAC name is potassium 2-ethoxy-2-oxoacetate.

Other characteristics of the Ethyl potassium oxalate can be summarised as followings: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.63; (4)ACD/LogD (pH 7.4): -3.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 63.6 Å²; (13)Flash Point: 89.3 °C; (14)Enthalpy of Vaporization: 48.59 kJ/mol; (15)Boiling Point: 204.7 °C at 760 mmHg; (16)Vapour Pressure: 0.106 mmHg at 25°C.

Uses of the Ethyl potassium oxalate: It could react with 1-bromo-3-phenyl-acetone to obtain the oxalic acid ethyl ester 2-oxo-3-phenyl-propyl ester. This reaction needs the solvent of H₂O, dimethylsulfoxide. The yield is 72 %.

The Ethyl potassium oxalate could react with 1-bromo-3-phenyl-acetone to obtain the oxalic acid ethyl ester 2-oxo-3-phenyl-propyl ester

You can still convert the following datas into molecular structure:
1.SMILES: [K+].[O-]C(=O)C(=O)OCC
2.InChI: InChI=1/C4H6O4.K/c1-2-8-4(7)3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
3.InChIKey: RLPQQBNSTHRHEK-REWHXWOFAI