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7111-77-5

Basic Information
CAS No.: 7111-77-5
Name: 2'-Methyl-[1,1'-Biphenyl]-2-Carboxylic Acid
Article Data: 16
Molecular Structure:
Molecular Structure of 7111-77-5 (2'-Methyl-[1,1'-Biphenyl]-2-Carboxylic Acid)
Formula: C14H12O2
Molecular Weight: 212.248
Synonyms: 2-Biphenylcarboxylicacid, 2'-methyl- (7CI,8CI);2-(o-Tolyl)benzoic acid;2-Carboxy-2'-methylbiphenyl;2'-Methyl[1,1'-biphenyl]-2-carboxylic acid;2'-Methylbiphenyl-2-carboxylic acid;
Density: 1.156 g/cm3
Boiling Point: 338.2 °C at 760 mmHg
Flash Point: 159.2 °C
Hazard Symbols: Xn
Risk Codes: 22-36-51
Safety: 26
PSA: 37.30000
LogP: 3.36020
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Specification

This chemical is called [1,1'-Biphenyl]-2-carboxylicacid, 2'-methyl-, and it can also be named as 2'-Methyl-[1,1'-Biphenyl]-2-Carboxylic Acid. The molecular formula of this chemical is C14H12O2. The CAS registry number of this chemical is 7111-77-5, and its systematic name is 2'-Methylbiphenyl-2-carboxylic acid. 

Other characteristics of the [1,1'-Biphenyl]-2-carboxylicacid, 2'-methyl- can be summarised as followings: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 5.68; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 41.22; (8)ACD/KOC (pH 7.4): 1.79; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 62.59 cm3; (15)Molar Volume: 183.5 cm3; (16)Polarizability: 24.81×10-24 cm3; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.156 g/cm3; (19)Flash Point: 159.2 °C; (20)Enthalpy of Vaporization: 61.38 kJ/mol; (21)Boiling Point: 338.2 °C at 760 mmHg; (22)Vapour Pressure: 3.88E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2c(c1ccccc1C)cccc2
2.InChI: InChI=1/C14H12O2/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14(15)16/h2-9H,1H3,(H,15,16)
3.InChIKey: GOAWMKUDICJPHY-UHFFFAOYAD