CAS No.222180-23-6,3'-FORMYL[1,1'-BIPHENYL]-4-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	222180-23-6
Name:	3'-FORMYL[1,1'-BIPHENYL]-4-CARBOXYLIC ACID
Article Data:	3

Formula:	C₁₄H₁₀O₃
Molecular Weight:	226.232
Synonyms:	4-(3-Formylphenyl)benzoic acid;
Density:	1.264 g/cm³
Melting Point:	231 °C
Boiling Point:	441.9 °C at 760 mmHg
Flash Point:	235.2 °C
Hazard Symbols:	Xi
PSA:	54.37000
LogP:	2.86430

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Specification

The [1,1'-Biphenyl]-4-carboxylicacid, 3'-formyl-, with the CAS registry number of 222180-23-6, is also known as 4-(3-Formylphenyl)benzoic acid. This chemical's molecular formula is C₁₄H₁₀O₃ and molecular weight is 226.23. What's more, its systematic name is 3'-Formylbiphenyl-4-carboxylic acid.

Physical properties about the [1,1'-Biphenyl]-4-carboxylicacid, 3'-formyl- are: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 9.46; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 68.78; (8)ACD/KOC (pH 7.4): 2.16; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 64.52 cm³; (15)Molar Volume: 178.9 cm³; (16)Surface Tension: 55.2 dyne/cm; (17)Density: 1.264 g/cm³; (18)Flash Point: 235.2 °C; (19)Enthalpy of Vaporization: 73.7 kJ/mol; (20)Boiling Point: 441.9 °C at 760 mmHg; (21)Vapour Pressure: 1.37E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccc(cc1)c2cccc(c2)C=O
(2) InChI: InChI=1/C14H10O3/c15-9-10-2-1-3-13(8-10)11-4-6-12(7-5-11)14(16)17/h1-9H,(H,16,17)
(3) InChIKey: ZIJAWDBNCZHVRY-UHFFFAOYAQ