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CAS No.: | 148332-36-9 |
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Name: | 2,2':6',2''-TERPYRIDINE-4'-CARBOXYLIC ACID |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C16H11N3O2 |
Molecular Weight: | 277.282 |
Synonyms: | Acide 2,2':6',2''-terpyridine-4'-carboxylique; |
Density: | 1.306 g/cm3 |
Melting Point: | 280-282℃ |
Boiling Point: | 582.629 °C at 760 mmHg |
Flash Point: | 306.163 °C |
Solubility: | Slightly soluble in water. |
PSA: | 75.97000 |
LogP: | 2.90380 |
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The [2,2':6',2''-Terpyridine]-4'-carboxylicacid, with the CAS registry number 148332-36-9, is also known as Acide 2,2':6',2''-terpyridine-4'-carboxylique. This chemical's molecular formula is C16H11N3O2 and molecular weight is 277.2774. Its systematic name is called 2,6-bis(2-pyridyl)pyridine-4-carboxylic acid.
Physical properties of [2,2':6',2''-Terpyridine]-4'-carboxylicacid: (1)ACD/LogP: 1.09; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.642; (10)Molar Refractivity: 76.64 cm3; (11)Molar Volume: 212.204 cm3; (12)Surface Tension: 63.302 dyne/cm; (13)Density: 1.307 g/cm3; (14)Flash Point: 306.163 °C; (15)Enthalpy of Vaporization: 91.615 kJ/mol; (16)Boiling Point: 582.629 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccnc(c1)c2cc(cc(n2)c3ccccn3)C(=O)O
(2)InChI: InChI=1/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21)
(3)InChIKey: ZYTWXMBGOUJDHJ-UHFFFAOYAZ