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CAS No.: | 4479-74-7 |
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Name: | 2,2'-Bipyridine-6,6'-dicarboxylic acid |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C12H8N2O4 |
Molecular Weight: | 244.207 |
Synonyms: | [2,2'-Bipyridine]-6,6'-dicarboxylic acid; |
EINECS: | 806-930-0 |
Density: | 1.469 g/cm3 |
Melting Point: | 286ºC |
Boiling Point: | 568.1 °C at 760 mmHg |
Flash Point: | 297.4 °C |
PSA: | 100.38000 |
LogP: | 1.54000 |
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The CAS registry number of 2,2'-Bipyridine-6,6'-dicarboxylic acid is 4479-74-7. This chemical is also known as 2,2'-Bipyridin-6,6'-dicarbonsäure. The molecular formula of it is C12H8N2O4 and molecular weight is 244.2029. Its systematic name is called 2,2'-bipyridine-6,6'-dicarboxylic acid.
Physical properties about this chemical are: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.654; (7)Molar Refractivity: 60.887 cm3; (8)Molar Volume: 166.225 cm3; (9)Surface Tension: 77.49 dyne/cm; (10)Density: 1.469 g/cm3; (11)Flash Point: 297.366 °C; (12)Enthalpy of Vaporization: 89.7 kJ/mol; (13)Boiling Point: 568.083 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nc(c1)C(=O)O)c2cccc(n2)C(=O)O
(2)InChI: InChI=1/C12H8N2O4/c15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18/h1-6H,(H,15,16)(H,17,18)
(3)InChIKey: DASAXWLMIWDYLQ-UHFFFAOYAG