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CAS No.: | 115102-47-1 |
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Name: | 5-ETHOXY-FURAN-2-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C7H8O4 |
Molecular Weight: | 156.138 |
Synonyms: | 2-Furoicacid, 5-ethoxy- (6CI);5-Ethoxyfuran-2-carboxylic acid;CHEMBRDG-BB 7113881; |
Density: | 1.246 g/cm3 |
Boiling Point: | 278.4 °C at 760 mmHg |
Flash Point: | 122.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 59.67000 |
LogP: | 1.37650 |
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The CAS register number of 2-Furancarboxylicacid, 5-ethoxy- is 18292-14-3. The systematic name about this chemical is 5-ethoxyfuran-2-carboxylic acid. The molecular formula about this chemical is C7H8O4 and the molecular weight is 156.14. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2-Furancarboxylicacid, 5-ethoxy- are: (1)ACD/LogP: 1.44; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.76; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 48.67 Å2; (10)Index of Refraction: 1.499; (11)Molar Refractivity: 36.79 cm3; (12)Molar Volume: 125.2 cm3; (13)Polarizability: 14.58x10-24cm3; (14)Surface Tension: 42.4 dyne/cm; (15)Density: 1.246 g/cm3; (16)Flash Point: 122.2 °C; (17)Enthalpy of Vaporization: 54.61 kJ/mol; (18)Boiling Point: 278.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00205 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1oc(OCC)cc1
(2)InChI: InChI=1/C7H8O4/c1-2-10-6-4-3-5(11-6)7(8)9/h3-4H,2H2,1H3,(H,8,9)
(3)InChIKey: SALAWNGVJRQXAU-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H8O4/c1-2-10-6-4-3-5(11-6)7(8)9/h3-4H,2H2,1H3,(H,8,9)
(5)Std. InChIKey: SALAWNGVJRQXAU-UHFFFAOYSA-N