ChemSpider 2D Image | 4,6-Dihydroxy-5-nitronicotinonitrile | C6H3N3O4

4,6-Dihydroxy-5-nitronicotinonitrile

  • Molecular FormulaC6H3N3O4
  • Average mass181.106 Da
  • Monoisotopic mass181.012360 Da
  • ChemSpider ID97194505

More details:

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

3-Pyridinecarbonitrile, 4,6-dihydroxy-5-nitro- [ACD/Index Name]
4,6-Dihydroxy-5-nitronicotinonitril [German] [ACD/IUPAC Name]
4,6-Dihydroxy-5-nitronicotinonitrile [ACD/IUPAC Name]
4,6-Dihydroxy-5-nitronicotinonitrile [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 537.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 278.7±30.1 °C
Index of Refraction: 1.695
Molar Refractivity: 38.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -3.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 130.5±5.0 dyne/cm
Molar Volume: 99.4±5.0 cm3

Click to predict properties on the Chemicalize site


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