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779335-05-6

Basic Information
CAS No.: 779335-05-6
Name: 5-CARBOXYLTHIOPHENE-2-BORONIC ACID PINACOL ESTER
Article Data: 6
Molecular Structure:
Molecular Structure of 779335-05-6 (5-CARBOXYLTHIOPHENE-2-BORONIC ACID PINACOL ESTER)
Formula: C11H15BO4S
Molecular Weight: 254.115
Synonyms: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid;
Density: 1.235 g/cm3
Melting Point: 176-181°C
Boiling Point: 403.444 °C at 760 mmHg
Flash Point: 197.796 °C
PSA: 84.00000
LogP: 1.74550
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Specification

The 2-Thiophenecarboxylicacid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with the CAS registry number 779335-05-6, is also known as 5-Carboxylthiophene-2-boronic acid pinacol ester. This chemical's molecular formula is C11H15BO4S and molecular weight is 254.1104. What's more, its systematic name is called 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid.

Physical properties about 2-Thiophenecarboxylicacid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 84 Å2; (5)Index of Refraction: 1.533; (6)Molar Refractivity: 63.874 cm3; (7)Molar Volume: 205.8 cm3; (8)Surface Tension: 43.064 dyne/cm; (9)Density: 1.235 g/cm3; (10)Flash Point: 197.796 °C; (11)Enthalpy of Vaporization: 69.043 kJ/mol; (12)Boiling Point: 403.444 °C at 760 mmHg; (13)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc(s2)C(=O)O
(2) InChI: InChI=1/C11H15BO4S/c1-10(2)11(3,4)16-12(15-10)8-6-5-7(17-8)9(13)14/h5-6H,1-4H3,(H,13,14)
(3) InChIKey: YLZRZHOUXZZBTF-UHFFFAOYAI