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595-84-6

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Basic Information
CAS No.: 595-84-6
Name: ethylmethylmalonic acid
Molecular Structure:
Molecular Structure of 595-84-6 (ethylmethylmalonic acid)
Formula: C6H10O4
Molecular Weight: 146.143
Synonyms: 2-ethyl-2-methyl-propanedioic acid;2-Ethyl-2-methylmalonic acid;2,2-Butanedicarboxylic acid;Propanedioic acid, ethylmethyl-;Ethylmethylmalonic acid;
EINECS: 209-870-8
Density: 1.25 g/cm3
Boiling Point: 315.3 °C at 760 mmHg
Flash Point: 158.7 °C
PSA: 74.60000
LogP: 0.57190
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Specification

The Malonic acid, ethylmethyl- is an organic compound with the formula C6H10O4. The IUPAC name of this chemical is 2-ethyl-2-methylpropanedioic acid. With the CAS registry number 595-84-6, it is also named as Ethyl(methyl)malonic acid.

Physical properties about Malonic acid, ethylmethyl- are: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): -2.01; (3)ACD/LogD (pH 7.4): -3.78; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 52.6 Å2; (12)Index of Refraction: 1.475; (13)Molar Refractivity: 32.94 cm3; (14)Molar Volume: 116.8 cm3; (15)Polarizability: 13.05×10-24cm3; (16)Surface Tension: 49.2 dyne/cm; (17)Density: 1.25 g/cm3; (18)Flash Point: 158.7 °C; (19)Enthalpy of Vaporization: 61.2 kJ/mol; (20)Boiling Point: 315.3 °C at 760 mmHg; (21)Vapour Pressure: 9.44E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(C(=O)O)(C)CC
(2)InChI: InChI=1/C6H10O4/c1-3-6(2,4(7)8)5(9)10/h3H2,1-2H3,(H,7,8)(H,9,10)
(3)InChIKey: OGAFKQWRXQJXJD-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C6H10O4/c1-3-6(2,4(7)8)5(9)10/h3H2,1-2H3,(H,7,8)(H,9,10)
(5)Std. InChIKey: OGAFKQWRXQJXJD-UHFFFAOYSA-N