4-[4-(2-CARBOXYBENZOYL)PHENYL]BUTYRIC ACID

The CAS register number of 4-(2-Carboxybenzoyl)benzenebutyric acid is 80866-86-0. It also can be called as Benzenebutanoic acid, 4-(2-carboxybenzoyl)- and the IUPAC name about this chemical is 2-[4-(4-hydroxy-4-oxobutyl)benzoyl]benzoic acid. The molecular formula about this chemical is C₁₈H₁₆O₅ and molecular weight is 312.32. It belongs to the following product categories which include C13 to C42+; Carbonyl Compounds; Carboxylic Acids and so on.

Physical properties about 4-(2-Carboxybenzoyl)benzenebutyric acid are: (1)ACD/LogP: 2.51; (2)ACD/LogD (pH 5.5): -0.48; (3)ACD/LogD (pH 7.4): -2.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 69.67Ų; (12)Index of Refraction: 1.609; (13)Molar Refractivity: 83.35 cm³; (14)Molar Volume: 240.5 cm³; (15)Polarizability: 33.04x10^-24cm³; (16)Surface Tension: 59.1 dyne/cm; (17)Enthalpy of Vaporization: 90.65 kJ/mol; (18)Boiling Point: 575.3 °C at 760 mmHg; (19)Vapour Pressure: 4.46E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccccc1C(=O)c2ccc(cc2)CCCC(=O)O
(2)InChI: InChI=1/C18H16O5/c19-16(20)7-3-4-12-8-10-13(11-9-12)17(21)14-5-1-2-6-15(14)18(22)23/h1-2,5-6,8-11H,3-4,7H2,(H,19,20)(H,22,23)
(3)InChIKey: PBCSZTCIOAKNOF-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C18H16O5/c19-16(20)7-3-4-12-8-10-13(11-9-12)17(21)14-5-1-2-6-15(14)18(22)23/h1-2,5-6,8-11H,3-4,7H2,(H,19,20)(H,22,23)
(5)Std. InChIKey: PBCSZTCIOAKNOF-UHFFFAOYSA-N