Benzoic acid,4-(2-oxopropyl)- (15482-54-9)

The 4-(2-Oxopropyl)benzoic acid with the CAS number 15482-54-9 is also called Benzoic acid,4-(2-oxopropyl)-. Its molecular formula is C₁₀H₁₀O₃. The product category is Aromatic Ketones (substituted). This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 4-(2-Oxopropyl)benzoic acid are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -1.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.36; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 47.39 cm³; (15)Molar Volume: 148.4 cm³; (16)Polarizability: 18.78×10^-24cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Enthalpy of Vaporization: 60.49 kJ/mol; (19)Vapour Pressure: 6.63×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cc1ccc(cc1)C(=O)O)C
(2)InChI: InChI=1/C10H10O3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13)
(3)InChIKey: FLZUYXUBDVKWPO-UHFFFAOYAV