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149982-11-6

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Basic Information
CAS No.: 149982-11-6
Name: 6',2'']Terpyridine-6,6''-dicarboxylic acid
Molecular Structure:
Molecular Structure of 149982-11-6 (6',2'']Terpyridine-6,6''-dicarboxylic acid)
Formula: C17H11N3O4
Molecular Weight: 321.07
Synonyms: 2,2':6',2''-terpyridine-6,6''-dicarboxylic acid;6',2'']Terpyridine-6,6''-dicarboxylic acid;
Density: 1.429 g/cm3
Melting Point: >260 °C (decomp)
Boiling Point: 637.9 °C at 760 mmHg
Flash Point: 339.6 °C
PSA: 113.27000
LogP: 2.60200
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Specification

The CAS registry number of [2,2';6',2'']Terpyridine-6,6''-dicarboxylic acid is 149982-11-6. In addition, the molecular formula is C17H11N3O4 and the molecular weight is 321.07. The systematic name is 2,2':6',2''-terpyridine-6,6''-dicarboxylato(2-). What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about [2,2';6',2'']Terpyridine-6,6''-dicarboxylic acid are: (1)ACD/LogP: 0.85; (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: 7; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 113.27 Å2; (10)Index of Refraction: 1.666; (11)Molar Refractivity: 83.57 cm3; (12)Molar Volume: 224.7 cm3; (13)Polarizability: 33.12 ×10-24cm3; (14)Surface Tension: 74.6 dyne/cm; (15)Density: 1.429 g/cm3; (16)Flash Point: 339.6 °C; (17)Enthalpy of Vaporization: 99.03 kJ/mol; (18)Boiling Point: 637.9 °C at 760 mmHg; (19)Vapour Pressure: 3.8E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cccc(n1)c2cccc(n2)c3nc(ccc3)C(O)=O
(2)Std. InChI: InChI=1S/C17H11N3O4/c21-16(22)14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(20-13)17(23)24/h1-9H,(H,21,22)(H,23,24)
(3)Std. InChIKey: IBKNKOTZIPJEKR-UHFFFAOYSA-N