CAS No.32074-56-9,Diethyl hydrogen 2-hydroxypropane-1,2,3-tricarboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	32074-56-9
Name:	Diethyl hydrogen 2-hydroxypropane-1,2,3-tricarboxylate

Formula:	C₁₀H₁₆O₇
Molecular Weight:	248.22984
Synonyms:	Diethyl citrate;5-Ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxo-pentanoic acid;
EINECS:	250-914-0
Density:	1.287 g/cm³
Boiling Point:	421.4 °C at 760 mmHg
Flash Point:	161.8 °C
PSA:	110.13000
LogP:	-0.29150

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Specification

The Diethyl hydrogen 2-hydroxypropane-1,2,3-tricarboxylate, with the CAS registry number 32074-56-9, is also known as 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2-diethyl ester. Its EINECS registry number is 250-914-0. This chemical's molecular formula is C₁₀H₁₆O₇ and molecular weight is 248.23. What's more, its systematic name is called 5-Ethoxy-3-(ethoxycarbonyl)-3-hydroxy-5-oxopentanoic acid.

Physical properties about Diethyl hydrogen 2-hydroxypropane-1,2,3-tricarboxylate are: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 10; (10)Polar Surface Area: 110.13 Å²; (11)Index of Refraction: 1.482; (12)Molar Refractivity: 54.992 cm³; (13)Molar Volume: 192.747 cm³; (14)Surface Tension: 50.211 dyne/cm; (15)Density: 1.288 g/cm³; (16)Flash Point: 161.837 °C; (17)Enthalpy of Vaporization: 78.014 kJ/mol; (18)Boiling Point: 421.435 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC(O)(CC(=O)OCC)C(=O)OCC
(2) InChI: InChI=1S/C10H16O7/c1-3-16-8(13)6-10(15,5-7(11)12)9(14)17-4-2/h15H,3-6H2,1-2H3,(H,11,12)
(3) InChIKey: KGYXYKHTHJPEBX-UHFFFAOYSA-N