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7116-39-4

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Basic Information
CAS No.: 7116-39-4
Name: 3-(3-METHOXY-PHENYL)-PROPIONIC ACID ETHYL ESTER
Article Data: 10
Molecular Structure:
Molecular Structure of 7116-39-4 (3-(3-METHOXY-PHENYL)-PROPIONIC ACID ETHYL ESTER)
Formula: C12H16O3
Molecular Weight: 208.257
Synonyms: Hydrocinnamicacid, m-methoxy-, ethyl ester (8CI);Ethyl 3-(3-methoxyphenyl)propionate;Ethyl3-(m-methoxyphenyl)propionate;
Density: 1.045 g/cm3
Boiling Point: 290.7 °C at 760 mmHg
Flash Point: 117.5 °C
PSA: 35.53000
LogP: 2.19090
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Specification

The Benzenepropanoic acid,3-methoxy-, ethyl ester is an organic compound with the formula C12H16O3. The systematic name of this chemical is Ethyl 3-(3-methoxyphenyl)propanoate. With the CAS registry number 7116-39-4, it is also named as 3-(3-Methoxyphenyl)propionic acid ethyl ester. Besides, its molecular weight is 208.11.

The physical properties of Benzenepropanoic acid,3-methoxy-, ethyl ester are: (1)ACD/LogP: 2.71; (2)ACD/LogD (pH 5.5): 2.71; (3)ACD/LogD (pH 7.4): 2.71; (4)ACD/BCF (pH 5.5): 66.97; (5)ACD/BCF (pH 7.4): 66.97; (6)ACD/KOC (pH 5.5): 705.6; (7)ACD/KOC (pH 7.4): 705.6; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.495; (12)Molar Refractivity: 58.15 cm3; (13)Molar Volume: 199.2 cm3; (14)Polarizability: 23.05×10-24 cm3; (15)Surface Tension: 34.9 dyne/cm; (16)Density: 1.045 g/cm3; (17)Flash Point: 117.5 °C; (18)Enthalpy of Vaporization: 53.01 kJ/mol; (19)Boiling Point: 290.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00203 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CCc1cc(OC)ccc1
(2)InChI: InChI=1/C12H16O3/c1-3-15-12(13)8-7-10-5-4-6-11(9-10)14-2/h4-6,9H,3,7-8H2,1-2H3
(3)InChIKey: JKUZROGLCCUHCK-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C12H16O3/c1-3-15-12(13)8-7-10-5-4-6-11(9-10)14-2/h4-6,9H,3,7-8H2,1-2H3
(5)Std. InChIKey: JKUZROGLCCUHCK-UHFFFAOYSA-N