CAS No.70916-98-2,4'-FORMYL-BIPHENYL-4-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	70916-98-2
Name:	4'-FORMYL-BIPHENYL-4-CARBOXYLIC ACID
Article Data:	10

Formula:	C₁₄H₁₀O₃
Molecular Weight:	226.232
Synonyms:	4'-Formyl-1,1'-biphenyl-4-carboxylicacid;4'-Formylbiphenyl-4-carboxylic acid;
Density:	1.264g/cm³
Melting Point:	150 °C
Boiling Point:	436.8 °C at 760 mmHg
Flash Point:	232.1 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	54.37000
LogP:	2.86430

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Specification

The [1,1'-Biphenyl]-4-carboxylicacid, 4'-formyl-, with CAS registry number 70916-98-2, belongs to the following product category: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. It has the systematic name of 4'-formylbiphenyl-4-carboxylic acid. And the chemical formula of this chemical is C₁₄H₁₀O₃.

Physical properties of [1,1'-Biphenyl]-4-carboxylicacid, 4'-formyl-: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 11.46; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 77.34; (8)ACD/KOC (pH 7.4): 2.52; (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)Polarizability: 25.58×10^-24cm³; (17)Surface Tension: 55.2 dyne/cm; (18)Density: 1.264 g/cm³; (19)Flash Point: 232.1 °C; (20)Enthalpy of Vaporization: 73.08 kJ/mol; (21)Boiling Point: 436.8 °C at 760 mmHg; (22)Vapour Pressure: 2.1E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(cc1)c2ccc(cc2)C(=O)O
(2)InChI: InChI=1/C14H10O3/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17/h1-9H,(H,16,17)
(3)InChIKey: JCEAFZUEUSBESW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C14H10O3/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17/h1-9H,(H,16,17)
(5)Std. InChIKey: JCEAFZUEUSBESW-UHFFFAOYSA-N