ChemSpider 2D Image | 3-Methoxy-3H-purine-6-carbonitrile | C7H5N5O

3-Methoxy-3H-purine-6-carbonitrile

  • Molecular FormulaC7H5N5O
  • Average mass175.148 Da
  • Monoisotopic mass175.049408 Da
  • ChemSpider ID26950367

More details:

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

3H-Purine-6-carbonitrile, 3-methoxy- [ACD/Index Name]
3-Methoxy-3H-purin-6-carbonitril [German] [ACD/IUPAC Name]
3-Methoxy-3H-purine-6-carbonitrile [ACD/IUPAC Name]
3-Méthoxy-3H-purine-6-carbonitrile [French] [ACD/IUPAC Name]
6-CYANO-3-METHOXYPURINE
889943-06-0 [RN]
MFCD07776647

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

Density: 1.5±0.1 g/cm3
Boiling Point: 246.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.4±3.0 kJ/mol
Flash Point: 103.1±30.1 °C
Index of Refraction: 1.726
Molar Refractivity: 45.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.55
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.99
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.15
Polar Surface Area: 73 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 64.3±7.0 dyne/cm
Molar Volume: 115.5±7.0 cm3

Click to predict properties on the Chemicalize site


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