FURAN-3,4-DICARBOXYLIC ACID

The 3,4-Furandicarboxylicacid, with CAS registry number 3387-26-6, has the systematic name of furan-3,4-dicarboxylic acid. Its molecular weight is 156.09296. And the chemical formula of this chemical is C₆H₄O₅. What's more, its EINECS is 222-210-3.

Physical properties of 3,4-Furandicarboxylicacid: (1)ACD/LogP: -0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.29; (4)ACD/LogD (pH 7.4): -4.23; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.74 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 32.41 cm³; (15)Molar Volume: 97.2 cm³; (16)Polarizability: 12.84×10^-24cm³; (17)Surface Tension: 74.1 dyne/cm; (18)Density: 1.604 g/cm³; (19)Flash Point: 179.2 °C; (20)Enthalpy of Vaporization: 65.39 kJ/mol; (21)Boiling Point: 372.6 °C at 760 mmHg; (22)Vapour Pressure: 3.26E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by furan-3,4-dicarboxylic acid diethyl ester. This reaction will need reagents ethanol, aqueous KOH-solution.

Uses of 3,4-Furandicarboxylicacid: it can be used to produce furan-3,4-dicarboxylic acid-dichloride. This reaction will need reagents benzene, phosphorus (V)-chloride.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cocc1C(=O)O
(2)InChI: InChI=1/C6H4O5/c7-5(8)3-1-11-2-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)
(3)InChIKey: SYLAFCZSYRXBJF-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H4O5/c7-5(8)3-1-11-2-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)
(5)Std. InChIKey: SYLAFCZSYRXBJF-UHFFFAOYSA-N