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CAS No.: | 729-18-0 |
---|---|
Name: | 4-Ethoxy-4'-biphenylcarboxylic acid |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C15H14O3 |
Molecular Weight: | 242.27 |
Synonyms: | [1,1'-Biphenyl]-4-carboxylic acid, 4'-ethoxy-; |
Density: | 1.166 g/cm3 |
Boiling Point: | 416.474 °C at 760 mmHg |
Flash Point: | 157.473 °C |
PSA: | 46.53000 |
LogP: | 3.45050 |
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The 4-Ethoxy-4'-biphenylcarboxylic acid, with the CAS registry number of 729-18-0, is also known as [1,1'-Biphenyl]-4-carboxylic acid, 4'-ethoxy-. It belongs to the product category of Biphenyl & Diphenyl ether. Its molecular formula is C15H14O3 and molecular weight is 242.27. What's more, its systematic name is 4'-Ethoxybiphenyl-4-carboxylic acid.
Physical properties about the 4-Ethoxy-4'-biphenylcarboxylic acid are: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 43; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 225; (8)ACD/KOC (pH 7.4): 6; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 69.086 cm3; (15)Molar Volume: 207.757 cm3; (16)Surface Tension: 45.376 dyne/cm; (17)Density: 1.166 g/cm3; (18)Flash Point: 157.473 °C; (19)Enthalpy of Vaporization: 70.61 kJ/mol; (20)Boiling Point: 416.474 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOc1ccc(cc1)c2ccc(cc2)C(O)=O
(2) InChI: InChI=1/C15H14O3/c1-2-18-14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(16)17/h3-10H,2H2,1H3,(H,16,17)
(3) InChIKey: NLHZIBRSZUFDFU-UHFFFAOYAL