Benzeneacetic acid,4-(chloromethyl)-a-methyl- (80530-55-8)

The 2-(4-Chloromethylphenyl)propionic acid, with the CAS registry number 80530-55-8, is also known as 4-(Chloromethyl)-alpha-methylbenzeneacetic acid. It belongs to the product category of Organic Acids. This chemical's molecular formula is C₁₀H₁₁ClO₂ and formula weight is 198.65. What's more, its systematic name is called 2-[4-(Chloromethyl)phenyl]propanoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/BCF (pH 5.5): 1.41; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.91; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 37.3 Å²; (12)Index of Refraction: 1.552; (13)Molar Refractivity: 51.76 cm³; (14)Molar Volume: 161.8 cm³; (15)Surface Tension: 45 dyne/cm; (16)Density: 1.227 g/cm³; (17)Flash Point: 155.4 °C; (18)Enthalpy of Vaporization: 60.82 kJ/mol; (19)Boiling Point: 333.4 °C at 760 mmHg; (20)Vapour Pressure: 5.44E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccc(cc1)C(C)C(O)=O
(2)InChI: InChI=1/C10H11ClO2/c1-7(10(12)13)9-4-2-8(6-11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)
(3)InChIKey: KIFZXXOBDKAFPG-UHFFFAOYAJ