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216443-17-3

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Basic Information
CAS No.: 216443-17-3
Name: 3'-METHYL [1,1'-BIPHENYL]-2-CARBOXALDEHYDE
Article Data: 22
Molecular Structure:
Molecular Structure of 216443-17-3 (3'-METHYL [1,1'-BIPHENYL]-2-CARBOXALDEHYDE)
Formula: C14H12O
Molecular Weight: 196.249
Synonyms: 3'-Methyl-1-biphenyl-2-carboxaldehyde;3'-Methylbiphenyl-2-carbaldehyde;3'-Methyl [1,1'-biphenyl]-2-carboxaldehyde;
Density: 1.074 g/cm3
Boiling Point: 338.2 °C at 760 mmHg
Flash Point: 184.7 °C
Hazard Symbols: IrritantXi
PSA: 17.07000
LogP: 3.47450
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Specification

This chemical is called [1,1'-Biphenyl]-2-carboxaldehyde,3'-methyl-, and it can also be named as 3'-Methyl [1,1'-biphenyl]-2-carboxaldehyde. With the molecular formula of C14H12O, its molecular weight is 196.24. The CAS registry number of this chemical is 216443-17-3, and its systematic name is 3'-Methylbiphenyl-2-carbaldehyde. 

Other characteristics of the [1,1'-Biphenyl]-2-carboxaldehyde,3'-methyl- can be summarised as followings: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.56; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 298.47; (6)ACD/BCF (pH 7.4): 298.47; (7)ACD/KOC (pH 5.5): 2056.57; (8)ACD/KOC (pH 7.4): 2056.57; (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: 24.74×10-24 cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.074 g/cm3; (19)Flash Point: 184.7 °C; (20)Enthalpy of Vaporization: 58.15 kJ/mol; (21)Boiling Point: 338.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=Cc2ccccc2c1cc(ccc1)C
2.InChI: InChI=1/C14H12O/c1-11-5-4-7-12(9-11)14-8-3-2-6-13(14)10-15/h2-10H,1H3
3.InChIKey: OTYFSYHNGKILGT-UHFFFAOYAT