Name: 5,5'-DiMethyl-[1,1'-biphenyl]-2,2'-dicarboxylic acid
SKU: 93012-36-3

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Basic Information

Molecular Structure:
CAS No.:	93012-36-3
Name:	5,5'-DiMethyl-[1,1'-biphenyl]-2,2'-dicarboxylic acid
Article Data:	4

Formula:	C₁₆H₁₄O₄
Molecular Weight:	270.285
Synonyms:	5,5'-dimethylbiphenyl-2,2'-dicarboxylic acid;5,5'-dimethyl-diphenic acid;5,5'-Dimethyl-diphensaeure;5,5'-Dimethyl-2,2'-diphensaeure;
Density:	1.272g/cm3
Boiling Point:	439.6oC at 760 mmHg
Flash Point:	233.8oC
PSA:	74.60000
LogP:	3.36680

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Specification

The 5,5'-Dimethyl-2,2'-biphenyldicarboxylic acid, with the CAS registry number 93012-36-3. It belongs to the product categories of organic matters. This chemical's molecular formula is C₁₆H₁₄O₄ and molecular weight is 270.27. What's more, its systematic name is 2-(2-carboxy-5-methyl-phenyl)-4-methyl-benzoic acid.

Physical properties about 5,5'-Dimethyl-2,2'-biphenyldicarboxylic acid are:(1)ACD/LogP: 2.616; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -1.53; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.14; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 74.355 cm³; (14)Molar Volume: 212.327 cm³; (15)Surface Tension: 55.7459983825684 dyne/cm; (16)Density: 1.273 g/cm³; (17)Flash Point: 233.813 °C; (18)Enthalpy of Vaporization: 73.422 kJ/mol;

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O)c1ccc(cc1c2cc(ccc2C(=O)O)C)C;
(2)InChI:InChI=1S/C16H14O4/c1-9-3-5-11(15(17)18)13(7-9)14-8-10(2)4-6-12(14)16(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20);
(3)InChIKey:HCUNISHLIXGFFA-UHFFFAOYSA-N;