ChemSpider 2D Image | 3-(6-Cyano-2-pyrazinyl)-2-propynoic acid | C8H3N3O2

3-(6-Cyano-2-pyrazinyl)-2-propynoic acid

  • Molecular FormulaC8H3N3O2
  • Average mass173.128 Da
  • Monoisotopic mass173.022522 Da
  • ChemSpider ID87944852

More details:

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

2-Propynoic acid, 3-(6-cyano-2-pyrazinyl)- [ACD/Index Name]
3-(6-Cyan-2-pyrazinyl)-2-propinsäure [German] [ACD/IUPAC Name]
3-(6-Cyano-2-pyrazinyl)-2-propynoic acid [ACD/IUPAC Name]
Acide 3-(6-cyano-2-pyrazinyl)-2-propynoïque [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: 430.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 214.2±28.7 °C
Index of Refraction: 1.635
Molar Refractivity: 40.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): -3.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 105.4±5.0 dyne/cm
Molar Volume: 113.0±5.0 cm3

Click to predict properties on the Chemicalize site


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