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5-(4-Nitrophenyl)oxazole-4-carboxylic acid

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Name

5-(4-Nitrophenyl)oxazole-4-carboxylic acid

EINECS N/A
CAS No. 914220-30-7 Density 1.51 g/cm3
PSA 109.15000 LogP 2.47120
Solubility N/A Melting Point N/A
Formula C10H6N2O5 Boiling Point 439.177 °C at 760 mmHg
Molecular Weight 234.165 Flash Point 219.407 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 914220-30-7 (5-(4-Nitrophenyl)oxazole-4-carboxylic acid) Hazard Symbols N/A
Synonyms

4-Oxazolecarboxylic acid,5-(4-nitrophenyl)-

 

5-(4-Nitrophenyl)oxazole-4-carboxylic acid Specification

The 5-(4-Nitrophenyl)oxazole-4-carboxylic acid, with CAS registry number 914220-30-7, belongs to the following product categories: (1)Blocks; (2)Carboxes; (3)NitroCompounds; (4)Oxazoles. It has the systematic name of 5-(4-nitrophenyl)-1,3-oxazole-4-carboxylic acid. And the chemical formula of this chemical is C10H6N2O5.

Physical properties of 5-(4-Nitrophenyl)oxazole-4-carboxylic acid: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 109.15 Å2; (11)Index of Refraction: 1.623; (12)Molar Refractivity: 54.711 cm3; (13)Molar Volume: 155.108 cm3; (14)Polarizability: 21.689×10-24cm3; (15)Surface Tension: 68.588 dyne/cm; (16)Density: 1.51 g/cm3; (17)Flash Point: 219.407 °C; (18)Enthalpy of Vaporization: 73.367 kJ/mol; (19)Boiling Point: 439.177 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ncoc2c1ccc(cc1)[N+]([O-])=O
(2)InChI: InChI=1/C10H6N2O5/c13-10(14)8-9(17-5-11-8)6-1-3-7(4-2-6)12(15)16/h1-5H,(H,13,14)
(3)InChIKey: PUWYNVGKYCYJJF-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H6N2O5/c13-10(14)8-9(17-5-11-8)6-1-3-7(4-2-6)12(15)16/h1-5H,(H,13,14)
(5)Std. InChIKey: PUWYNVGKYCYJJF-UHFFFAOYSA-N

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