Basic Information | Post buying leads | Suppliers | Cas Database |
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 | 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 |
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