CAS No.3539-42-2,4,4'-ISOPROPYLIDENEDIPHENOXYACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3539-42-2
Name:	4,4'-ISOPROPYLIDENEDIPHENOXYACETIC ACID
Article Data:	10

Formula:	C₁₉H₂₀O₆
Molecular Weight:	344.364
Synonyms:	Aceticacid, [isopropylidenebis(p-phenyleneoxy)]di- (6CI,7CI,8CI);2,2-Bis(p-phenyleneoxyacetic acid)propane;Bisacid A 2;Bisphenol Abis(carboxymethyl) ether;
Density:	1.261 /cm³
Melting Point:	179 °C
Boiling Point:	542.8 °C at 760 mmHg
Flash Point:	193.9 °C
PSA:	93.06000
LogP:	2.93930

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Specification

This chemical is called Acetic acid, 2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-, and its systematic name is 2,2'-[propane-2,2-diylbis(benzene-4,1-diyloxy)]diacetic acid. With the molecular formula of C₁₉H₂₀O₆, its molecular weight is 344.36. The CAS registry number of this chemical is 3539-42-2. Additionally, its product categories are Bisphenol A type Compounds (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research.

Other characteristics of the Acetic acid, 2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis- can be summarised as followings: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 93.06 Å²; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 90.15 cm³; (13)Molar Volume: 272.9 cm³; (14)Polarizability: 35.74×10^-24cm³; (15)Surface Tension: 50.1 dyne/cm; (16)Density: 1.261 g/cm³; (17)Flash Point: 193.9 °C; (18)Enthalpy of Vaporization: 86.41 kJ/mol; (19)Boiling Point: 542.8 °C at 760 mmHg; (20)Vapour Pressure: 1.29E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OC(=O)COc1ccc(cc1)C(C)(C)c2ccc(OCC(O)=O)cc2
2.InChI: InChI=1/C19H20O6/c1-19(2,13-3-7-15(8-4-13)24-11-17(20)21)14-5-9-16(10-6-14)25-12-18(22)23/h3-10H,11-12H2,1-2H3,(H,20,21)(H,22,23)
3.InChIKey:ZYGPJSLWIIMUMO-UHFFFAOYAF