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(2E)-3-(4-Methoxyphenyl)-2-phenylacrylic acid

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Name

(2E)-3-(4-Methoxyphenyl)-2-phenylacrylic acid

EINECS N/A
CAS No. 6968-77-0 Density 1.204 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C16H14O3 Boiling Point 386.9 °C at 760 mmHg
Molecular Weight 254.285 Flash Point 141.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6968-77-0 ((2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoic acid) Hazard Symbols N/A
Synonyms

benzeneacetic acid, α-[(4-methoxyphenyl)methylene]-, (alphaE)-;3-(4-methoxyphenyl)-2-phenylacrylic acid;(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoic acid;

Article Data 29

(2E)-3-(4-Methoxyphenyl)-2-phenylacrylic acid Specification

The CAS register number of (2E)-3-(4-Methoxyphenyl)-2-phenylacrylic acid is 6968-77-0. It also can be called as benzeneacetic acid, α-[(4-methoxyphenyl)methylene]-, (alphaE)- and the systematic name about this chemical is (2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoic acid. The molecular formula about this chemical is C16H14O3 and the molecular weight is 254.2806.

Physical properties about (2E)-3-(4-Methoxyphenyl)-2-phenylacrylic acid are: (1)ACD/LogP: 4.52; (2)ACD/LogD (pH 5.5): 2.68; (3)ACD/LogD (pH 7.4): 1.08; (4)ACD/BCF (pH 5.5): 23.41; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 100; (7)ACD/KOC (pH 7.4): 2.48; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.53Å2; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 75.16 cm3; (14)Molar Volume: 211.1 cm3; (15)Polarizability: 29.79x10-24cm3; (16)Surface Tension: 49.6 dyne/cm; (17)Enthalpy of Vaporization: 67.08 kJ/mol; (18)Boiling Point: 386.9 °C at 760 mmHg; (19)Vapour Pressure: 1.11E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(=C\c1ccc(OC)cc1)\c2ccccc2
(2)InChI: InChI=1/C16H14O3/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b15-11+
(3)InChIKey: NHUQYXSTNXLJIW-RVDMUPIBBB
(4)Std. InChI: InChI=1S/C16H14O3/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b15-11+
(5)Std. InChIKey: NHUQYXSTNXLJIW-RVDMUPIBSA-N

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