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

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

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

Product Name

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

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

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