Benzeneacetic acid, a,a-diphenyl- (595-91-5)

The cas register number of Triphenylacetic acid is 595-91-5. It also can be called as alpha-Toluic acid, alpha,alpha-diphenyl- and the IUPAC Name about this chemical is 2,2,2-triphenylacetic acid. It belongs to the Phenylacetic acid. When you are using it, please avoid contact with skin and eyes.

Physical properties about Triphenylacetic acid are: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 32.29; (6)ACD/BCF (pH 7.4): 1.23; (7)ACD/KOC (pH 5.5): 101.8; (8)ACD/KOC (pH 7.4): 3.88; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.3 Å²; (13)Flash Point: 210.7 °C; (14)Enthalpy of Vaporization: 68.8 kJ/mol; (15)Boiling Point: 401.4 °C at 760 mmHg; (16)Vapour Pressure: 3.64E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C([O-])C(c1ccccc1)(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C20H16O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)/p-1
(3)InChIKey: DCYGAPKNVCNOE-REWHXWOFAE
(4)Std. InChI: InChI=1S/C20H16O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)/p-1
(5)Std. InChIKey: DCYGAPKNVCQNOE-UHFFFAOYSA-M