ChemSpider 2D Image | 3-Cyano-5,6-dihydroxy-2-pyrazinecarboxylic acid | C6H3N3O4

3-Cyano-5,6-dihydroxy-2-pyrazinecarboxylic acid

  • Molecular FormulaC6H3N3O4
  • Average mass181.106 Da
  • Monoisotopic mass181.012360 Da
  • ChemSpider ID61848613

More details:

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

2-Pyrazinecarboxylic acid, 3-cyano-5,6-dihydroxy- [ACD/Index Name]
3-Cyan-5,6-dihydroxy-2-pyrazincarbonsäure [German] [ACD/IUPAC Name]
3-Cyano-5,6-dihydroxy-2-pyrazinecarboxylic acid [ACD/IUPAC Name]
Acide 3-cyano-5,6-dihydroxy-2-pyrazinecarboxylique [French] [ACD/IUPAC Name]
2091480-95-2 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 834.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 458.5±34.3 °C
Index of Refraction: 1.727
Molar Refractivity: 36.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -3.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 183.0±5.0 dyne/cm
Molar Volume: 91.1±5.0 cm3

Click to predict properties on the Chemicalize site


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