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Boronic acid,(3-methoxy-2-pyridinyl)- (9CI)

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Name

Boronic acid,(3-methoxy-2-pyridinyl)- (9CI)

EINECS N/A
CAS No. 500707-34-6 Density 1.249 g/cm3
PSA 62.58000 LogP -1.23000
Solubility N/A Melting Point N/A
Formula C6H8BNO3 Boiling Point 356.963 °C at 760 mmHg
Molecular Weight 152.945 Flash Point 169.685 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 500707-34-6 (3-METHOXY-2-PYRIDINEBORONIC ACID) Hazard Symbols N/A
Synonyms

3-Methoxypyridine-2-boronic acid;

 

Boronic acid,(3-methoxy-2-pyridinyl)- (9CI) Specification

The Boronic acid,(3-methoxy-2-pyridinyl)- (9CI), with the CAS registry number 500707-34-6, is also known as 3-Methoxypyridine-2-boronic acid. It belongs to the product category of Methoxy. This chemical's molecular formula is C6H8BNO3 and molecular weight is 152.9436. What's more, its systematic name is (3-Methoxypyridin-2-yl)boronic acid. 

Physical properties about Boronic acid,(3-methoxy-2-pyridinyl)- (9CI) are: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 40; (7)ACD/KOC (pH 7.4): 14; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 62.58 Å2; (12)Index of Refraction: 1.524; (13)Molar Refractivity: 37.452 cm3; (14)Molar Volume: 122.439 cm3; (15)Polarizability: 14.847×10-24 cm3; (16)Surface Tension: 50.18 dyne/cm; (17)Density: 1.249 g/cm3;  (18)Flash Point: 169.685 °C; (19) Enthalpy of Vaporization: 63.552 kJ/mol; (20)Boiling Point: 356.963 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1ncccc1OC
(2) InChI: InChI=1/C6H8BNO3/c1-11-5-3-2-4-8-6(5)7(9)10/h2-4,9-10H,1H3
(3) InChIKey: AGWPKYDCLMHNIE-UHFFFAOYAK

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