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CAS No.: | 913835-98-0 |
---|---|
Name: | 2-(HYDROXYMETHYL)PYRIDINE-5-BORONIC ACID |
Molecular Structure: | |
Formula: | C6H8BNO3 |
Molecular Weight: | 152.945 |
Synonyms: | Boronicacid, [6-(hydroxymethyl)-3-pyridinyl]- (9CI);[6-(Hydroxymethyl)pyridin-3-yl]boronic acid; |
Density: | 1.34 g/cm3 |
Boiling Point: | 384 °C at 760 mmHg |
Flash Point: | 186.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 37/38-41 |
Safety: | 26-39 |
PSA: | 73.58000 |
LogP: | -1.74630 |
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The Boronicacid, B-[6-(hydroxymethyl)-3-pyridinyl]- with CAS registry number 913835-98-0 belongs to the classes of Blocks; Boronic Acids; Pyridines. The IUPAC name is [6-(hydroxymethyl)-3-pyridyl]boronic acid. In addition, the formula is C6H8BNO3 and the molecular weight is 152.94.
Physical properties of Boronicacid, B-[6-(hydroxymethyl)-3-pyridinyl]-: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 73.58 Å2; (6)Index of Refraction: 1.568; (7)Molar Refractivity: 37.24 cm3; (8)Molar Volume: 113.7 cm3; (9)Polarizability: 14.76 ×10-24cm3; (10)Surface Tension: 64.7 dyne/cm; (11)Density: 1.34 g/cm3; (12)Flash Point: 186.1 °C; (13)Enthalpy of Vaporization: 66.73 kJ/mol; (14)Boiling Point: 384 °C at 760 mmHg; (15)Vapour Pressure: 1.39E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1ccc(cn1)B(O)O
(2)InChI: InChI=1/C6H8BNO3/c9-4-6-2-1-5(3-8-6)7(10)11/h1-3,9-11H,4H2
(3)InChIKey: MSUQKXAJTUAESD-UHFFFAOYAH