The 5-(3-Nitrophenyl)oxazole-4-carboxylic acid, with the CAS registry number 951885-28-2, is also known as 5-(3-Nitrophenyl)-1,3-oxazole-4-carboxylic acid. It belongs to the product categories of Blocks; Carboxes; Oxazoles. This chemical's molecular formula is C10H6N2O5 and molecular weight is 234.165. Its systematic name is called 5-(3-nitrophenyl)oxazole-4-carboxylic acid.
Physical properties of 5-(3-Nitrophenyl)oxazole-4-carboxylic acid: (1)ACD/LogP: 0.43; (2)#H bond acceptors: 7; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Index of Refraction: 1.623; (6)Molar Refractivity: 54.71 cm3; (7)Molar Volume: 155.1 cm3; (8)Surface Tension: 68.5 dyne/cm; (9)Density: 1.509 g/cm3; (10)Flash Point: 218.7 °C; (11)Enthalpy of Vaporization: 73.22 kJ/mol; (12)Boiling Point: 438 °C at 760 mmHg; (13)Vapour Pressure: 1.91E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)[N+](=O)[O-])c2c(nco2)C(=O)O
(2)InChI: InChI=1/C10H6N2O5/c13-10(14)8-9(17-5-11-8)6-2-1-3-7(4-6)12(15)16/h1-5H,(H,13,14)
(3)InChIKey: TXIIRMPKHMVIGN-UHFFFAOYAQ
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