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Basic Information
CAS No.: 162607-22-9
Name: 3-Methoxythiophene-2-boronic acid
Molecular Structure:
Molecular Structure of 162607-22-9 (3-Methoxythiophene-2-boronic acid)
Formula: C5H7BO3S
Molecular Weight: 157.9833
Synonyms: 3-METHOXYTHIOPHENE-2-BORONIC ACID
Density: 1.322 g/cm3
Boiling Point: 338.158 °C at 760 mmHg
Flash Point: 158.312 °C
PSA: 77.93000
LogP: -0.56350
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Specification

The CAS registry number of 3-Methoxythiophene-2-boronic acid is 162607-22-9. This chemical's molecular formula is C5H7BO3S and molecular weight is 157.9833. What's more, its systematic name is called (3-Methoxy-2-thienyl)boronic acid.

Physical properties about 3-Methoxythiophene-2-boronic acid are: (1)ACD/LogP: 0.77; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.769; (4)ACD/LogD (pH 7.4): 0.732; (5)ACD/BCF (pH 5.5): 2.262; (6)ACD/BCF (pH 7.4): 2.074; (7)ACD/KOC (pH 5.5): 62.398; (8)ACD/KOC (pH 7.4): 57.221; (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: 37.795 cm3; (15)Molar Volume: 119.486 cm3; (16)Polarizability: 14.983×10-24 cm3; (17)Surface Tension: 48.424 dyne/cm; (18)Density: 1.322 g/cm3; (19)Flash Point: 158.312 °C; (20)Enthalpy of Vaporization: 61.373 kJ/mol; (21)Boiling Point: 338.158 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1c(ccs1)OC)(O)O
(2) InChI: InChI=1/C5H7BO3S/c1-9-4-2-3-10-5(4)6(7)8/h2-3,7-8H,1H3
(3) InChIKey: TYUQSAPZLQSKPS-UHFFFAOYAQ