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1033745-21-9

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Basic Information
CAS No.: 1033745-21-9
Name: 5-Acetylpyridin-3-ylboronic acid
Molecular Structure:
Molecular Structure of 1033745-21-9 (5-Acetylpyridin-3-ylboronic acid)
Formula: C7H8BNO3
Molecular Weight: 165.06
Synonyms: (5-Acetyl-3-pyridyl)boronic acid;
Density: 1.271 g/cm3
Boiling Point: 414.968 °C at 760 mmHg
Flash Point: 204.766 °C
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Specification

The 5-Acetylpyridin-3-ylboronic acid has CAS registry number 1033745-21-9. This chemical's molecular formula is C7H8BNO3 and molecular weight is 165.06. What's more, its systematic name is (5-Acetyl-3-pyridyl)boronic acid.

Physical properties about 5-Acetylpyridin-3-ylboronic acid are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4.059; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 70.42 Å2; (10)Index of Refraction: 1.536; (11)Molar Refractivity: 40.457 cm3; (12)Molar Volume: 129.732 cm3; (13)Polarizability: 16.039×10-24 cm3; (14)Surface Tension: 53.448 dyne/cm; (15)Density: 1.271 g/cm3; (16)Flash Point: 204.766 °C; (17)Enthalpy of Vaporization: 70.428 kJ/mol; (18)Boiling Point: 414.968 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure: 
(1) SMILES: B(c1cc(cnc1)C(=O)C)(O)O
(2) InChI: InChI=1/C7H8BNO3/c1-5(10)6-2-7(8(11)12)4-9-3-6/h2-4,11-12H,1H3
(3) InChIKey: MJFGIOXMWMNLOK-UHFFFAOYAA