ChemSpider 2D Image | 5-(4-CYANOPHENYL)-OXAZOLE-4-CARBOXYLIC ACID | C11H6N2O3

5-(4-CYANOPHENYL)-OXAZOLE-4-CARBOXYLIC ACID

  • Molecular FormulaC11H6N2O3
  • Average mass214.177 Da
  • Monoisotopic mass214.037842 Da
  • ChemSpider ID21513458

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Oxazolecarboxylic acid, 5-(4-cyanophenyl)- [ACD/Index Name]
5-(4-Cyanophenyl)-1,3-oxazole-4-carboxylic acid [ACD/IUPAC Name]
5-(4-CYANOPHENYL)-OXAZOLE-4-CARBOXYLIC ACID
5-(4-cyanoyphenyl)-1,3-oxazole-4-carboxylic acid
5-(4-Cyanphenyl)-1,3-oxazol-4-carbonsäure [German] [ACD/IUPAC Name]
914220-32-9 [RN]
Acide 5-(4-cyanophényl)-1,3-oxazole-4-carboxylique [French] [ACD/IUPAC Name]
MFCD08704725 [MDL number]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 431.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 214.8±25.9 °C
Index of Refraction: 1.640
Molar Refractivity: 52.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 145.9±5.0 cm3

Click to predict properties on the Chemicalize site


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