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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 | Hazard Symbols | Xi | |
Synonyms |
Isocitratelactone; |
Article Data | 1 |
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