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40105-20-2

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Basic Information
CAS No.: 40105-20-2
Name: ETHYL (R)-(-)-2-METHOXYPROPIONATE
Article Data: 5
Molecular Structure:
Molecular Structure of 40105-20-2 (ETHYL (R)-(-)-2-METHOXYPROPIONATE)
Formula: C6H12O3
Molecular Weight: 132.159
Synonyms: Propanoic acid, 2-methoxy-, ethyl ester, (R)-;Ethyl (R)-(-)-2-methoxypropionate;
Density: 0.959 g/cm3
Boiling Point: 160 °C at 760 mmHg
Flash Point: 49.9 °C
Safety: 24/25
PSA: 35.53000
LogP: 0.58440
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Specification

The CAS registry number of Propanoic acid, 2-methoxy-, ethyl ester, (2R)- is 40105-20-2. This chemical is also named as Ethyl (R)-(-)-2-methoxypropionate. In addition, its molecular formula is C6H12O3 and molecular weight is 132.16. Its systematic name is called ethyl (2R)-2-methoxypropanoate. You must avoid contacting it with skin and eyes.

Physical properties about Propanoic acid, 2-methoxy-, ethyl ester, (2R)- are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 2.81; (6)ACD/BCF (pH 7.4): 2.81; (7)ACD/KOC (pH 5.5): 72.85; (8)ACD/KOC (pH 7.4): 72.85; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.398; (13)Molar Refractivity: 33.32 cm3; (14)Molar Volume: 137.7 cm3; (15)Surface Tension: 26.5 dyne/cm; (16)Density: 0.959 g/cm3; (17)Flash Point: 49.9 °C; (18)Enthalpy of Vaporization: 39.66 kJ/mol; (19)Boiling Point: 160 °C at 760 mmHg; (20)Vapour Pressure: 2.44 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)[C@H](OC)C
(2)InChI:InChI=1/C6H12O3/c1-4-9-6(7)5(2)8-3/h5H,4H2,1-3H3/t5-/m1/s1
(3)InChIKey: WHRLOJCOIKOQGL-RXMQYKEDBO