The 2-Propenoicacid, 3-ethoxy-, (2E)-, with the CAS registry number 14674-80-7, is also known as (2E)-3-Ethoxyacrylic acid. This chemical's molecular formula is C5H8O3 and molecular weight is 116.12. What's more, its systematic name is (2E)-3-Ethoxyprop-2-enoic acid.
Physical properties of 2-Propenoicacid, 3-ethoxy-, (2E)- are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.51; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.453; (13)Molar Refractivity: 28.58 cm3; (14)Molar Volume: 105.6 cm3; (15)Polarizability: 11.33×10-24 cm3; (16)Surface Tension: 36.5 dyne/cm; (17)Density: 1.098 g/cm3; (18)Flash Point: 92.9 °C; (19)Enthalpy of Vaporization: 50.02 kJ/mol; (20)Boiling Point: 217.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0501 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C\OCC
(2)InChI: InChI=1S/C5H8O3/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
(3)InChIKey: SYMAGJYJMLUEQE-ONEGZZNKSA-N
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