ChemSpider 2D Image | 4,6-Dihydroxy-5-pyrimidinecarbonitrile | C5H3N3O2

4,6-Dihydroxy-5-pyrimidinecarbonitrile

  • Molecular FormulaC5H3N3O2
  • Average mass137.096 Da
  • Monoisotopic mass137.022522 Da
  • ChemSpider ID61075906

More details:

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

1936377-42-2 [RN]
4,6-Dihydroxy-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4,6-Dihydroxy-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4,6-Dihydroxy-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
4-hydroxy-6-oxo-1H-pyrimidine-5-carbonitrile
5-Pyrimidinecarbonitrile, 4,6-dihydroxy- [ACD/Index Name]
4,6-dihydroxypyrimidine-5-carbonitrile
MFCD31617110

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

Density: 1.7±0.1 g/cm3
Boiling Point: 440.1±45.0 °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: 220.0±28.7 °C
Index of Refraction: 1.670
Molar Refractivity: 30.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.68
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): -3.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 136.8±5.0 dyne/cm
Molar Volume: 80.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement