Basic Information | Post buying leads | Suppliers |
Name |
3,4-Dimethyl-2,5-furandione |
EINECS | N/A |
CAS No. | 62565-79-1 | Density | 1.236 g/cm3 |
PSA | 43.37000 | LogP | 0.40620 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H6O3 | Boiling Point | 223 °C at 760 mmHg |
Molecular Weight | 126.11 | Flash Point | 95.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,4-Dimethylfuran-2,5-dione; |
The 3,4-Dimethyl-2,5-furandione, with the CAS registry number 62565-79-1, is also known as 2,5-Furandione, 3,4-dimethyl-. This chemical's molecular formula is C6H6O3 and molecular weight is 126.11. What's more, both its IUPAC name and systematic name are the same which is called 3,4-Dimethylfuran-2,5-dione.
Physical properties about 3,4-Dimethyl-2,5-furandione are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.82; (5)ACD/BCF (pH 5.5): 2.45; (6)ACD/BCF (pH 7.4): 2.45; (7)ACD/KOC (pH 5.5): 66.18; (8)ACD/KOC (pH 7.4): 66.18; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 29.32 cm3; (15)Molar Volume: 102 cm3; (16)Surface Tension: 36.9 dyne/cm; (17)Density: 1.236 g/cm3; (18)Flash Point: 95.6 °C; (19)Enthalpy of Vaporization: 45.95 kJ/mol; (20)Boiling Point: 223 °C at 760 mmHg; (21)Vapour Pressure: 0.0986 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1OC(=O)/C(=C/1C)C
(2) InChI: InChI=1/C6H6O3/c1-3-4(2)6(8)9-5(3)7/h1-2H3
(3) InChIKey: MFGALGYVFGDXIX-UHFFFAOYAY