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162607-21-8

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Basic Information
CAS No.: 162607-21-8
Name: 5-METHOXYTHIOPHENE-2-BORONIC ACID
Molecular Structure:
Molecular Structure of 162607-21-8 (5-METHOXYTHIOPHENE-2-BORONIC ACID)
Formula: C5H7BO3S
Molecular Weight: 157.98
Synonyms: (5-Methoxythiophen-2-yl)boronic acid;5-Methoxythiophene-2-boronic acid;Boronic acid, (5-methoxy-2-thienyl)- (9CI);
Density: 1.32 g/cm3
Boiling Point: 337.4 °C at 760 mmHg
Flash Point: 157.9 °C
Appearance: off-white solid
PSA: 77.93000
LogP: -0.56350
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Specification

The Boronic acid, (5-methoxy-2-thienyl)-, with the CAS registry number 162607-21-8, is also known as 5-Methoxythiophene-2-boronic acid. This chemical's molecular formula is C5H7BO3S and molecular weight is 157.98. What's more, its systematic name is (5-methoxythiophen-2-yl)boronic acid. 

Physical properties of Boronic acid, (5-methoxy-2-thienyl)- are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 8.16; (6)ACD/BCF (pH 7.4): 7.88; (7)ACD/KOC (pH 5.5): 156.4; (8)ACD/KOC (pH 7.4): 151.02; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 77.93 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 37.79 cm3; (15)Molar Volume: 119.4 cm3; (16)Polarizability: 14.98×10-24cm3; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 157.9 °C; (20)Enthalpy of Vaporization: 61.29 kJ/mol; (21)Boiling Point: 337.4 °C at 760 mmHg; (22)Vapour Pressure: 4.1E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(s1)B(O)O
(2)InChI: InChI=1S/C5H7BO3S/c1-9-5-3-2-4(10-5)6(7)8/h2-3,7-8H,1H3
(3)InChIKey: OODNCJSCAOATOX-UHFFFAOYSA-N