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6307-19-3

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Basic Information
CAS No.: 6307-19-3
Name: 4-oxo-3,4-diphenylbutanoic acid
Article Data: 6
Molecular Structure:
Molecular Structure of 6307-19-3 (4-oxo-3,4-diphenylbutanoic acid)
Formula: C16H14O3
Molecular Weight: 254.285
Density: 1.21 g/cm3
Boiling Point: 435.3 °C at 760 mmHg
Flash Point: 231.2 °C
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Specification

This chemical has the IUPAC name 4-Oxo-3,4-diphenyl-butanoic acid. With the molecular formula C16H14O3, and its molecular weight is 254.28056. Additionally, its CAS registry number is 6307-19-3.

Other characteristics of the 4-Oxo-3,4-diphenyl-butanoic acid can be summarised as followings: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/BCF (pH 5.5): 3.38; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 33.7; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 43.37 Å2; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 71.6 cm3; (14)Molar Volume: 210 cm3; (15)Polarizability: 28.38×10-24cm3; (16)Surface Tension: 52.2 dyne/cm; (17)Density: 1.21 g/cm3; (18)Flash Point: 231.2 °C; (19)Enthalpy of Vaporization: 72.89 kJ/mol; (20)Boiling Point: 435.3 °C at 760 mmHg; (21)Vapour Pressure: 2.39E-08 mmHg at 25°C.

Production method of the 4-Oxo-3,4-diphenyl-butanoic acid: It could be obtained by the reactant (4-oxo-3,4-diphenyl-1-trimethylsilanyloxy-but-1-enyl)-phosphonic acid diethyl ester. This reaction needs the reagent of 1 M NaOH, and the solvent of dioxane. The yield is 73 %. In addition, this reaction should be taken for 15 minutes.

the 4-Oxo-3,4-diphenyl-butanoic acid could be obtained by the reactant (4-oxo-3,4-diphenyl-1-trimethylsilanyloxy-but-1-enyl)-phosphonic acid diethyl ester

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(c1ccccc1)C(c2ccccc2)CC(=O)O
2.InChI: InChI=1/C16H14O3/c17-15(18)11-14(12-7-3-1-4-8-12)16(19)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18)
3.InChIKey: UPIUBJLNVKULID-UHFFFAOYAJ