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CAS No.: | 7040-25-7 |
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Name: | 3,4-Furandicarboxaldehyde |
Molecular Structure: | |
Formula: | C6H4O3 |
Molecular Weight: | 124.096 |
Synonyms: | Furan-3,4-dicarbaldehyde; |
Density: | 1.299 g/cm3 |
Melting Point: | 77-78 °C |
Boiling Point: | 254.581 °C at 760 mmHg |
Flash Point: | 111.861 °C |
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The 3,4-Furandicarboxaldehyde has the CAS registry number 7040-25-7. This chemical's molecular formula is C6H4O3 and molecular weight is 124.09. What's more, its systematic name is furan-3,4-dicarbaldehyde.
Physical properties of 3,4-Furandicarboxaldehyde are: (1)ACD/LogP: -1.05; (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): 6; (6)ACD/KOC (pH 7.4): 6; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 47.28 Å2; (11)Index of Refraction: 1.586; (12)Molar Refractivity: 32.058 cm3; (13)Molar Volume: 95.56 cm3; (14)Polarizability: 12.709×10-24cm3; (15)Surface Tension: 47.879 dyne/cm; (16)Density: 1.299 g/cm3; (17)Flash Point: 111.861 °C; (18)Enthalpy of Vaporization: 49.202 kJ/mol; (19)Boiling Point: 254.581 °C at 760 mmHg; (20)Vapour Pressure: 0.017 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(co1)C=O)C=O
(2)Std. InChI: InChI=1S/C6H4O3/c7-1-5-3-9-4-6(5)2-8/h1-4H
(3)Std. InChIKey: VOZUNQVRNQWCBG-UHFFFAOYSA-N