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CAS No.: | 147404-69-1 |
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Name: | 4'-METHYLBIPHENYL-3-CARBOXYLIC ACID |
Article Data: | 15 |
Molecular Structure: | |
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: | Xi |
Risk Codes: | 22 |
PSA: | 37.30000 |
LogP: | 3.36020 |
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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