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147404-69-1

Basic Information
CAS No.: 147404-69-1
Name: 4'-METHYLBIPHENYL-3-CARBOXYLIC ACID
Article Data: 15
Molecular Structure:
Molecular Structure of 147404-69-1 (4'-METHYLBIPHENYL-3-CARBOXYLIC ACID)
Formula: C14H12O2
Molecular Weight: 212.248
Synonyms: 4'-Methylbiphenyl-3-carboxylicacid;4'-methyl-biphenyl-3-carboxylic acid;
Density: 1.156 g/cm3
Boiling Point: 399.4 °C at 760 mmHg
Flash Point: 182 °C
Hazard Symbols: IrritantXi
Risk Codes: 22
PSA: 37.30000
LogP: 3.36020
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  • 4'-Methylbiphenyl-3-carboxylic acid

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  • [1,1'-Biphenyl]-3-carboxylicacid, 4'-methyl-

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Specification

The [1,1'-Biphenyl]-3-carboxylicacid, 4'-methyl-, with the CAS registry number 147404-69-1, is also known as 4'-Methylbiphenyl-3-carboxylic acid. It belongs to the product categories of Pharmacetical; Carboxylic Acids; Biphenyl & Diphenyl ether; Carboxylic Acids; Ring Systems. This chemical's molecular formula is C14H12O2 and molecular weight is 212.24. Its IUPAC name is called 3-(4-methylphenyl)benzoic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of [1,1'-Biphenyl]-3-carboxylicacid, 4'-methyl-: (1)ACD/LogP: 4.30; (2)ACD/LogD (pH 5.5): 2.93; (3)ACD/LogD (pH 7.4): 1.4; (4)ACD/BCF (pH 5.5): 46.29; (5)ACD/BCF (pH 7.4): 1.37; (6)ACD/KOC (pH 5.5): 221.07; (7)ACD/KOC (pH 7.4): 6.52; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.597; (12)Molar Refractivity: 62.59 cm3; (13)Molar Volume: 183.5 cm3; (14)Surface Tension: 46.9 dyne/cm; (15)Density: 1.156 g/cm3; (16)Flash Point: 182 °C; (17)Enthalpy of Vaporization: 68.56 kJ/mol; (18)Boiling Point: 399.4 °C at 760 mmHg; (19)Vapour Pressure: 4.26E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O
(2)InChI: InChI=1S/C14H12O2/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(15)16/h2-9H,1H3,(H,15,16)
(3)InChIKey: APYJGQZXCGXMGB-UHFFFAOYSA-N