ChemSpider 2D Image | 6-Oxo-6H-purine-8-carbaldehyde | C6H2N4O2

6-Oxo-6H-purine-8-carbaldehyde

  • Molecular FormulaC6H2N4O2
  • Average mass162.106 Da
  • Monoisotopic mass162.017776 Da
  • ChemSpider ID60792459

More details:

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

6H-Purine-8-carboxaldehyde, 6-oxo- [ACD/Index Name]
6-Oxo-6H-purin-8-carbaldehyd [German] [ACD/IUPAC Name]
6-Oxo-6H-purine-8-carbaldehyde [ACD/IUPAC Name]
6-Oxo-6H-purine-8-carbaldéhyde [French] [ACD/IUPAC Name]
1368382-02-8 [RN]
MFCD22068750

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

Density: 1.9±0.1 g/cm3
Boiling Point: 299.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.0±3.0 kJ/mol
Flash Point: 121.8±28.0 °C
Index of Refraction: 1.876
Molar Refractivity: 39.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.88
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.11
Polar Surface Area: 84 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 94.9±7.0 dyne/cm
Molar Volume: 85.5±7.0 cm3

Click to predict properties on the Chemicalize site


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