CAS No.1186-79-4,2,3-DIETHYLSUCCINIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1186-79-4
Name:	2,3-DIETHYLSUCCINIC ACID
Article Data:	4

Formula:	C₈H₁₄O₄
Molecular Weight:	174.197
Synonyms:	Succinicacid, 2,3-diethyl- (6CI,7CI,8CI);2,3-Diethylsuccinic acid;3,4-Hexanedicarboxylic acid;
Density:	1.156 g/cm³
Melting Point:	132-133℃
Boiling Point:	274 °C at 760 mmHg
Flash Point:	133.7 °C
PSA:	74.60000
LogP:	1.20800

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Specification

The Butanedioic acid, 2, 3-diethyl-, with the CAS registry number of 1186-79-4, is also known as 2, 3-Diethylsuccinic acid. This chemical's molecular formula is C₈H₁₄O₄ and molecular weight is 174.19. What's more, its systematic name is called 2, 3-Diethylbutanedioic acid.

Physical properties about Butanedioic acid, 2, 3-diethyl- are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.86; (4)ACD/LogD (pH 7.4): -3.13; (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: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 42.15 cm³; (15)Molar Volume: 150.5 cm³; (16)Surface Tension: 44.4 dyne/cm; (17)Density: 1.156 g/cm³; (18)Flash Point: 133.7 °C; (19)Enthalpy of Vaporization: 56.39 kJ/mol; (20)Boiling Point: 274 °C at 760 mmHg; (21)Vapour Pressure: 0.00153 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(CC)C(C(=O)O)CC
(2) InChI: InChI=1/C8H14O4/c1-3-5(7(9)10)6(4-2)8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
(3) InChIKey: KJXMXCRSMLOXBM-UHFFFAOYAQ