Basic Information | Post buying leads | Suppliers |
Name |
6-(Cyclopropylmethoxy)pyridine-3-boronic acid |
EINECS | N/A |
CAS No. | 1028749-31-6 | Density | 1.257 g/cm3 |
PSA | 62.58000 | LogP | -0.44980 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H12BNO3 | Boiling Point | 368.223 °C at 760 mmHg |
Molecular Weight | 193.00748 | Flash Point | 176.495 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
[6-(cyclopropylmethoxy)pyridin-3-yl]boronic acid; |
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