ChemSpider 2D Image | 7-Allyl-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde | C12H13N3O3

7-Allyl-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde

  • Molecular FormulaC12H13N3O3
  • Average mass247.250 Da
  • Monoisotopic mass247.095688 Da
  • ChemSpider ID21124880

More details:

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

1H-Pyrrolo[2,3-d]pyrimidine-6-carboxaldehyde, 2,3,4,7-tetrahydro-1,3-dimethyl-2,4-dioxo-7-(2-propen-1-yl)- [ACD/Index Name]
7-Allyl-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-6-carbaldehyd [German] [ACD/IUPAC Name]
7-Allyl-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde [ACD/IUPAC Name]
7-Allyl-1,3-diméthyl-2,4-dioxo-2,3,4,7-tétrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carbaldéhyde [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 430.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.4±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 66.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 48.26
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 48.26
Polar Surface Area: 63 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 190.4±7.0 cm3

Click to predict properties on the Chemicalize site


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