2'-Methoxybiphenyl-4-carbaldehyde (421553-62-0)

The 2'-Methoxybiphenyl-4-carbaldehyde with the CAS number 421553-62-0 is also called [1,1'-Biphenyl]-4-carboxaldehyde,2'-methoxy-. The IUPAC name is 4-(2-methoxyphenyl)benzaldehyde. Its molecular formula is C₁₄H₁₂O₂. The product category is Pharmacetical. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the 2'-Methoxybiphenyl-4-carbaldehyde are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 265.75; (6)ACD/BCF (pH 7.4): 265.75; (7)ACD/KOC (pH 5.5): 1892.54; (8)ACD/KOC (pH 7.4): 1892.54; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3Ų; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 64.27 cm³; (15)Molar Volume: 190.3 cm³; (16)Polarizability: 25.48×10^-24cm³; (17)Surface Tension: 41.2 dyne/cm; (18)Enthalpy of Vaporization: 57.11 kJ/mol; (19)Vapour Pressure: 0.000187 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2ccc(c1ccccc1OC)cc2
(2)InChI: InChI=1/C14H12O2/c1-16-14-5-3-2-4-13(14)12-8-6-11(10-15)7-9-12/h2-10H,1H3
(3)InChIKey: CFGCKFDEJVKBCY-UHFFFAOYAB