The [1,1'-Biphenyl]-3-carboxaldehyde,3'-methyl-, with CAS registry number 216443-78-6, belongs to the following product category: Pharmacetical. It has the systematic name of 3'-methylbiphenyl-3-carbaldehyde. And the chemical formula of this chemical is C14H12O.
Physical properties of [1,1'-Biphenyl]-3-carboxaldehyde,3'-methyl-: (1)ACD/LogP: 4.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.14; (4)ACD/LogD (pH 7.4): 4.14; (5)ACD/BCF (pH 5.5): 821.21; (6)ACD/BCF (pH 7.4): 821.21; (7)ACD/KOC (pH 5.5): 4243.92; (8)ACD/KOC (pH 7.4): 4243.92; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 62.42 cm3; (15)Molar Volume: 182.6 cm3; (16)Polarizability: 24.74×10-24cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.074 g/cm3; (19)Flash Point: 183.6 °C; (20)Enthalpy of Vaporization: 58.05 kJ/mol; (21)Boiling Point: 337.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000106 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2cc(c1cccc(c1)C)ccc2
(2)InChI: InChI=1/C14H12O/c1-11-4-2-6-13(8-11)14-7-3-5-12(9-14)10-15/h2-10H,1H3
(3)InChIKey: KAGSXBNQBKIILK-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C14H12O/c1-11-4-2-6-13(8-11)14-7-3-5-12(9-14)10-15/h2-10H,1H3
(5)Std. InChIKey: KAGSXBNQBKIILK-UHFFFAOYSA-N
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