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2240-81-5

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Basic Information
CAS No.: 2240-81-5
Name: TETRAHYDROFURAN-2,5-DICARBOXYLIC ACID
Article Data: 11
Molecular Structure:
Molecular Structure of 2240-81-5 (TETRAHYDROFURAN-2,5-DICARBOXYLIC ACID)
Formula: C6H8O5
Molecular Weight: 160.127
Synonyms: 2,5-Furandicarboxylicacid, tetrahydro-, cis- (8CI);cis-Tetrahydro-2,5-furandicarboxylic acid;
Density: 1.535 g/cm3
Melting Point: 195-200°C
Boiling Point: 425.5 °C at 760 mmHg
Flash Point: 186.7 °C
PSA: 83.83000
LogP: -0.29680
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Specification

The systematic name of this chemical is 2,5-anhydro-3,4-dideoxyhexaric acid. With the CAS registry number 2240-81-5, it is also named as Tetrahydrofuran-2,5-dicarboxylic Acid. The product's categories are heterocyclic compounds; heterocycles; miscellaneous reagents. This chemical is an organic compound with the formula C6H8O5. And it must be sealed in the container and avoid direct sunshine.

The other characteristics of 2,5-Anhydro-3,4-dideoxyhexaric acid can be summarized as: (1)ACD/LogP: -1.24; (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: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.531; (11)Molar Refractivity: 32.26 cm3; (12)Molar Volume: 104.2 cm3; (13)Polarizability: 12.79×10-24 cm3; (14)Surface Tension: 69.7 dyne/cm; (15)Density: 1.535 g/cm3; (16)Flash Point: 186.7 °C; (17)Enthalpy of Vaporization: 74.6 kJ/mol; (18)Boiling Point: 425.5 °C at 760 mmHg; (19)Vapour Pressure: 1.97E-08 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES: O=C(O)C1OC(C(=O)O)CC1;
2. InChI: InChI=1/C6H8O5/c7-5(8)3-1-2-4(11-3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10);
3. InChIKey: CWZQRDJXBMLSTF-UHFFFAOYAM.