CAS No.53662-83-2,2,5-Furandicarboxylic acid diethyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53662-83-2
Name:	2,5-Furandicarboxylic acid diethyl ester
Article Data:	3

Formula:	C₁₀H₁₂O₅
Molecular Weight:	212.202
Synonyms:	Furan-2,5-dicarboxylic acid diethyl ester;Diethyl furan-2,5-dicarboxylate;Ethyl 5-(ethoxycarbonyl)furan-2-carboxylate;
Density:	1.172 g/cm³
Boiling Point:	301.3 °C at 760 mmHg
Flash Point:	136 °C
PSA:	65.74000
LogP:	1.63300

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Specification

The systematic name of 2,5-Furandicarboxylic acid diethyl ester is diethyl furan-2,5-dicarboxylate. With the CAS registry number 53662-83-2, it is also named as Ethyl 5-(ethoxycarbonyl)furan-2-carboxylate. The product's categories are Heterocyclic Compounds; Heterocycles. In addition, its molecular formula is C₁₀H₁₂O₅ and molecular weight is 212.20.

The other characteristics of 2,5-Furandicarboxylic acid diethyl ester can be summarized as: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.42; (6)ACD/BCF (pH 7.4): 17.42; (7)ACD/KOC (pH 5.5): 269.1; (8)ACD/KOC (pH 7.4): 269.1; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 65.74 Å²; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 51.36 cm³; (15)Molar Volume: 181 cm³; (16)Polarizability: 20.36×10^-24cm³; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.172 g/cm³; (19)Flash Point: 136 °C; (20)Enthalpy of Vaporization: 54.14 kJ/mol; (21)Boiling Point: 301.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00106 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)c1oc(C(=O)OCC)cc1
(2)InChI: InChI=1/C10H12O5/c1-3-13-9(11)7-5-6-8(15-7)10(12)14-4-2/h5-6H,3-4H2,1-2H3
(3)InChIKey: PHGMGTWRSNXLDV-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H12O5/c1-3-13-9(11)7-5-6-8(15-7)10(12)14-4-2/h5-6H,3-4H2,1-2H3
(5)Std. InChIKey: PHGMGTWRSNXLDV-UHFFFAOYSA-N