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2,3-Furandicarboxylicacid

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Name

2,3-Furandicarboxylicacid

EINECS N/A
CAS No. 4282-24-0 Density 1.604 g/cm3
PSA 87.74000 LogP 0.67600
Solubility N/A Melting Point 226°C
Formula C6H4O5 Boiling Point 375.2 °C at 760 mmHg
Molecular Weight 156.095 Flash Point 180.7 °C
Transport Information N/A Appearance N/A
Safety 26-36/37 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4282-24-0 (FURAN-2,3-DICARBOXYLIC ACID) Hazard Symbols Xi
Synonyms

Isocitratelactone;

Article Data 1

2,3-Furandicarboxylicacid Specification

The 2,3-Furandicarboxylicacid, with the CAS registry number 4282-24-0, is also known as Isocitratelactone. This chemical's molecular formula is C6H4O5 and molecular weight is 156.09. What's more, its systematic name is called Furan-2,3-dicarboxylic acid.

Physical properties about 2,3-Furandicarboxylicacid are: (1)ACD/LogP: -0.48; (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)Polar Surface Area: 65.74 Å2; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 32.41 cm3; (13)Molar Volume: 97.2 cm3; (14)Surface Tension: 74.1 dyne/cm; (15)Density: 1.604 g/cm3; (16)Flash Point: 180.7 °C; (17)Enthalpy of Vaporization: 65.69 kJ/mol; (18)Boiling Point: 375.2 °C at 760 mmHg; (19)Vapour Pressure: 2.69E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1occc1C(=O)O
(2) InChI: InChI=1/C6H4O5/c7-5(8)3-1-2-11-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)
(3) InChIKey: DNXDYHALMANNEJ-UHFFFAOYAW

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