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115311-41-6

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Basic Information
CAS No.: 115311-41-6
Name: 2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
Article Data: 4
Molecular Structure:
Molecular Structure of 115311-41-6 (2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid)
Formula: C9H6N2O2S
Molecular Weight: 206.225
Synonyms: 2-(Pyridin-2-yl)-1,3-thiazole-4-carboxylicacid;
Density: 1.44 g/cm3
Melting Point: 224-226 °C
Boiling Point: 458.455 °C at 760 mmHg
Flash Point: 231.066 °C
PSA: 91.32000
LogP: 1.90330
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Specification

The 4-Thiazolecarboxylicacid, 2-(2-pyridinyl)-, also known as 2-(Pyridin-2-yl)-1,3-thiazole-4-carboxylic acid, is the organic compound with the formula C9H6N2O2S. It belongs to the product categories of Carboxylic Acids; Thiazoles, Isothiazoles & Benzothiazoles; Carboxylic Acids; Thiazoles, Isothiazoles & Benzothiazoles. With the CAS registry number 115311-41-6, its IUPAC name is 2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid.

Physical properties of 4-Thiazolecarboxylicacid, 2-(2-pyridinyl)-: (1)ACD/LogP: 1.91; (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: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.652; (10)Molar Refractivity: 52.342 cm3; (11)Molar Volume: 143.175 cm3; (12)Surface Tension: 70.054 dyne/cm; (13)Density: 1.44 g/cm3; (14)Flash Point: 231.066 °C; (15)Enthalpy of Vaporization: 75.736 kJ/mol; (16)Boiling Point: 458.455 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=NC(=C1)C2=NC(=CS2)C(=O)O
(2)InChI: InChI=1S/C9H6N2O2S/c12-9(13)7-5-14-8(11-7)6-3-1-2-4-10-6/h1-5H,(H,12,13)
(3)InChIKey: KJHHLEKGRGFSQH-UHFFFAOYSA-N