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53103-75-6

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Basic Information
CAS No.: 53103-75-6
Name: 2-ethoxypropionic acid
Molecular Structure:
Molecular Structure of 53103-75-6 (2-ethoxypropionic acid)
Formula: C5H10O3
Molecular Weight: 118.133
Synonyms: O-Aethyl-milchsaeure;2-ethoxy-propionic acid;2-Aethoxy-propionsaeure;Propanoic acid,2-ethoxy;ethoxy-propionic acid;
Density: 1.051 g/cm3
Boiling Point: 214.513 °C at 760 mmHg
Flash Point: 89.591 °C
PSA: 46.53000
LogP: 0.49600
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Specification

The 2-Ethoxypropanoic acid, with CAS registry number 53103-75-6, has the systematic name of 2-ethoxypropanoic acid. Its molecular weight is 118.1311. And the chemical formula of this chemical is C5H10O3.

Physical properties of 2-Ethoxypropanoic acid: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.42; (14)Molar Refractivity: 28.482 cm3; (15)Molar Volume: 112.434 cm3; (16)Polarizability: 11.291×10-24cm3; (17)Surface Tension: 33.218 dyne/cm; (18)Density: 1.051 g/cm3; (19)Flash Point: 89.591 °C; (20)Enthalpy of Vaporization: 49.678 kJ/mol; (21)Boiling Point: 214.513 °C at 760 mmHg; (22)Vapour Pressure: 0.06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C(C)OCC
(2)InChI: InChI=1/C5H10O3/c1-3-8-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
(3)InChIKey: XBHQOMRKOUANQQ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H10O3/c1-3-8-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
(5)Std. InChIKey: XBHQOMRKOUANQQ-UHFFFAOYSA-N