Basic information
- Name:
Quinazoline-2-carboxylic acid
- CAS No.:
568630-14-8
- Molecular Structure:
- Formula:
- C9H6N2O2
- Molecular Weight:
- 174.158
- Density:
- 1.421 g/cm3
- Boiling Point:
- 441.877 °C at 760 mmHg
- Flash Point:
- 221.04 °C
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Specification
The Quinazoline-2-carboxylic acid, with the CAS registry number 568630-14-8, is also known as 2-Quinazolinecarboxylic acid. This chemical's molecular formula is C9H6N2O2 and molecular weight is 174.158. Its systematic name is called quinazoline-2-carboxylic acid.
Physical properties of Quinazoline-2-carboxylic acid: (1)ACD/LogP: 1.13; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.697; (10)Molar Refractivity: 47.208 cm3; (11)Molar Volume: 122.526 cm3; (12)Surface Tension: 75.798 dyne/cm; (13)Density: 1.421 g/cm3; (14)Flash Point: 221.04 °C; (15)Enthalpy of Vaporization: 73.697 kJ/mol; (16)Boiling Point: 441.877 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1nc2ccccc2cn1
(2)InChI: InChI=1/C9H6N2O2/c12-9(13)8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)
(3)InChIKey: OKXPYKHKJCATPX-UHFFFAOYAO