ChemSpider 2D Image | 5-[(3,6-Dioxo-1,4-cyclohexadien-1-yl)ethynyl]-2-pyridinecarboxylic acid | C14H7NO4

5-[(3,6-Dioxo-1,4-cyclohexadien-1-yl)ethynyl]-2-pyridinecarboxylic acid

  • Molecular FormulaC14H7NO4
  • Average mass253.210 Da
  • Monoisotopic mass253.037506 Da
  • ChemSpider ID81772599

More details:

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

2-Pyridinecarboxylic acid, 5-[2-(3,6-dioxo-1,4-cyclohexadien-1-yl)ethynyl]- [ACD/Index Name]
5-[(3,6-Dioxo-1,4-cyclohexadien-1-yl)ethinyl]-2-pyridincarbonsäure [German] [ACD/IUPAC Name]
5-[(3,6-Dioxo-1,4-cyclohexadien-1-yl)ethynyl]-2-pyridinecarboxylic acid [ACD/IUPAC Name]
Acide 5-[(3,6-dioxo-1,4-cyclohexadién-1-yl)éthynyl]-2-pyridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 475.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 241.4±28.7 °C
Index of Refraction: 1.673
Molar Refractivity: 63.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.42
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 81.2±5.0 dyne/cm
Molar Volume: 169.8±5.0 cm3

Click to predict properties on the Chemicalize site


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