The Diethyl oxalacetate with cas registry number of 108-56-5, has the systematic name of diethyl 2-oxobutanedioate. And its IUPAC name is the same one. Besides this, it is also named Butanedioic acid, oxo-, diethyl ester.
Physical properties about this chemical are: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1.93; (6)ACD/BCF (pH 7.4): 1.56; (7)ACD/KOC (pH 5.5): 55.65; (8)ACD/KOC (pH 7.4): 44.95; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 69.67 Å2; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 42.69 cm3; (15)Molar Volume: 164.6 cm3; (16)Polarizability: 16.92×10-24cm3; (17)Surface Tension: 36.5 dyne/cm; (18)Enthalpy of Vaporization: 49.16 kJ/mol; (19)Vapour Pressure: 0.0175 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(=O)OCC)CC(=O)OCC;
(2)InChI: InChI=1/C8H12O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h3-5H2,1-2H3;
(3)InChIKey: JDXYSCUOABNLIR-UHFFFAOYAC;
(4)Std. InChI: InChI=1S/C8H12O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h3-5H2,1-2H3;
(5)Std. InChIKey: JDXYSCUOABNLIR-UHFFFAOYSA-N
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