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| CAS No.: | 919347-69-6 |
|---|---|
| Name: | (5-FORMYLPYRIDIN-3-YL)BORONIC ACID |
| Molecular Structure: | |
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| Formula: | C6H6BNO3 |
| Molecular Weight: | 150.93 |
| Synonyms: | (5-Formylpyridin-3-yl)boronicacid;boronic acid, B-(5-formyl-3-pyridinyl)-;5-Formylpyridine-3-boronic acid; |
| Density: | 1.33 g/cm3 |
| Boiling Point: | 399 °C at 760 mmHg |
| Flash Point: | 195.1 °C |
| PSA: | 70.42000 |
| LogP: | -1.42610 |
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- Total:20 Page 1 of 1 1
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Specification
The Boronicacid, B-(5-formyl-3-pyridinyl)-, with the CAS registry number 919347-69-6, has the systematic name of (5-Formylpyridin-3-yl)boronic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H6BNO3.
The characteristics of Boronicacid, B-(5-formyl-3-pyridinyl)- are as followings: (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): 5.47; (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: 1.548; (11)Molar Refractivity: 36.05 cm3; (12)Molar Volume: 113.4 cm3; (13)Polarizability: 14.29×10-24cm3; (14)Surface Tension: 59.1 dyne/cm; (15)Density: 1.33 g/cm3; (16)Flash Point: 195.1 °C; (17)Enthalpy of Vaporization: 68.51 kJ/mol; (18)Boiling Point: 399 °C at 760 mmHg; (19)Vapour Pressure: 4.41E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: B(c1cc(cnc1)C=O)(O)O
(2)InChI: InChI=1/C6H6BNO3/c9-4-5-1-6(7(10)11)3-8-2-5/h1-4,10-11H
(3)InChIKey: YLLYILYEIRFUKE-UHFFFAOYAI