ChemSpider 2D Image | 2,4-Dioxo-1-(2-propyn-1-yl)-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde | C8H6N2O3

2,4-Dioxo-1-(2-propyn-1-yl)-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde

  • Molecular FormulaC8H6N2O3
  • Average mass178.145 Da
  • Monoisotopic mass178.037842 Da
  • ChemSpider ID30656945

More details:

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

2,4-Dioxo-1-(2-propin-1-yl)-1,2,3,4-tetrahydro-5-pyrimidincarbaldehyd [German] [ACD/IUPAC Name]
2,4-Dioxo-1-(2-propyn-1-yl)-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde [ACD/IUPAC Name]
2,4-Dioxo-1-(2-propyn-1-yl)-1,2,3,4-tétrahydro-5-pyrimidinecarbaldéhyde [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxaldehyde, 1,2,3,4-tetrahydro-2,4-dioxo-1-(2-propyn-1-yl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 43.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.90
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.78
Polar Surface Area: 66 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 73.5±3.0 dyne/cm
Molar Volume: 122.3±3.0 cm3

Click to predict properties on the Chemicalize site


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