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CAS No.: | 1028749-31-6 |
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Name: | 6-(Cyclopropylmethoxy)pyridine-3-boronic acid |
Molecular Structure: | |
Formula: | C9H12BNO3 |
Molecular Weight: | 193.00748 |
Synonyms: | [6-(cyclopropylmethoxy)pyridin-3-yl]boronic acid; |
Density: | 1.257 g/cm3 |
Boiling Point: | 368.223 °C at 760 mmHg |
Flash Point: | 176.495 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 62.58000 |
LogP: | -0.44980 |
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The CAS registry number of 6-(Cyclopropylmethoxy)pyridine-3-boronic acid is 1028749-31-6. The molecular formula of it is C9H12BNO3 and molecular weight is 193.00748. Its systematic name and IUPAC name are the same which is called [6-(cyclopropylmethoxy)-3-pyridyl]boronic acid.
Physical properties about this chemical are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 0.282; (5)ACD/BCF (pH 5.5): 6.989; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 132.635; (8)ACD/KOC (pH 7.4): 9.232; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.555; (13)Molar Refractivity: 49.282 cm3; (14)Molar Volume: 153.565 cm3; (15)Surface Tension: 53.12 dyne/cm; (16)Density: 1.257 g/cm3; (17)Flash Point: 176.495 °C; (18)Enthalpy of Vaporization: 64.869 kJ/mol; (19)Boiling Point: 368.223 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1)OCC2CC2)(O)O
(2)InChI: InChI=1/C9H12BNO3/c12-10(13)8-3-4-9(11-5-8)14-6-7-1-2-7/h3-5,7,12-13H,1-2,6H2
(3)InChIKey: FYVJFCKZJMJNAX-UHFFFAOYAC