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643-38-9

Basic Information
CAS No.: 643-38-9
Name: 2,3-Quinoline dicarboxylic acid
Article Data: 22
Molecular Structure:
Molecular Structure of 643-38-9 (2,3-Quinoline dicarboxylic acid)
Formula: C11H7NO4
Molecular Weight: 217.181
Synonyms: Acridinicacid;NSC 26342;
Density: 1.531 g/cm3
Melting Point: 183 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
Boiling Point: 423.7 °C at 760 mmHg
Flash Point: 210 °C
PSA: 87.49000
LogP: 1.63120
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  • 2,3-Quinoline dicarboxylic acid

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Specification

The 2,3-Quinoline dicarboxylic acid is an organic compound with the formula C11H7NO4. The IUPAC name of this chemical is quinoline-2,3-dicarboxylic acid. With the CAS registry number 643-38-9, it is also named as Quinolinedicarboxylicacid. Besides, it is an intermediate of the herbicide.

Physical properties about 2,3-Quinoline dicarboxylic acid are: (1)ACD/LogP: 0.68; (2)ACD/LogD (pH 5.5): -2.77; (3)ACD/LogD (pH 7.4): -3.44; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 65.49 Å2; (12)Index of Refraction: 1.72; (13)Molar Refractivity: 56.04 cm3; (14)Molar Volume: 141.8 cm3; (15)Polarizability: 22.21×10-24cm3; (16)Surface Tension: 84 dyne/cm; (17)Density: 1.531 g/cm3; (18)Flash Point: 210 °C; (19)Enthalpy of Vaporization: 71.48 kJ/mol; (20)Boiling Point: 423.7 °C at 760 mmHg; (21)Vapour Pressure: 6.18E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc2ccccc2nc1C(=O)O
(2)InChI: InChI=1/C11H7NO4/c13-10(14)7-5-6-3-1-2-4-8(6)12-9(7)11(15)16/h1-5H,(H,13,14)(H,15,16)
(3)InChIKey: YHUVMHKAHWKQBI-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H7NO4/c13-10(14)7-5-6-3-1-2-4-8(6)12-9(7)11(15)16/h1-5H,(H,13,14)(H,15,16)
(5)Std. InChIKey: YHUVMHKAHWKQBI-UHFFFAOYSA-N