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596819-12-4

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Basic Information
CAS No.: 596819-12-4
Name: 5-METHOXYTHIOPHENE-2-BORONIC ACID PINACOL ESTER
Article Data: 13
Molecular Structure:
Molecular Structure of 596819-12-4 (5-METHOXYTHIOPHENE-2-BORONIC ACID PINACOL ESTER)
Formula: C11H17BO3S
Molecular Weight: 240.131
Synonyms: 2-(5-Methoxythiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-Methoxythiophene-2-boronic acid pinacol ester;
Density: 1.1 g/cm3
Boiling Point: 332.7 °C at 760 mmHg
Flash Point: 155 °C
PSA: 55.93000
LogP: 2.05590
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Specification

The 1,3,2-Dioxaborolane, 2-(5-methoxy-2-thienyl)-4,4,5,5-tetramethyl-, with the CAS registry number 596819-12-4, is also known as 5-Methoxythiophene-2-boronic acid pinacol ester. This chemical's molecular formula is C11H17BO3S and molecular weight is 240.13. What's more, its systematic name is 2-(5-methoxythiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. 

Physical properties of 1,3,2-Dioxaborolane, 2-(5-methoxy-2-thienyl)-4,4,5,5-tetramethyl- are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 55.93 Å2; (5)Index of Refraction: 1.499; (6)Molar Refractivity: 63.96 cm3; (7)Molar Volume: 217.5 cm3; (8)Polarizability: 25.35×10-24cm3; (9)Surface Tension: 34 dyne/cm; (10)Density: 1.1 g/cm3; (11)Flash Point: 155 °C; (12)Enthalpy of Vaporization: 55.27 kJ/mol; (13)Boiling Point: 332.7 °C at 760 mmHg; (14)Vapour Pressure: 0.000277 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2ccc(OC)s2
(2)InChI: InChI=1S/C11H17BO3S/c1-10(2)11(3,4)15-12(14-10)8-6-7-9(13-5)16-8/h6-7H,1-5H
(3)InChIKey: WAUOLRNNTGNWJP-UHFFFAOYSA-N