ChemSpider 2D Image | Methyl 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate | C14H11N3O3

Methyl 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate

  • Molecular FormulaC14H11N3O3
  • Average mass269.255 Da
  • Monoisotopic mass269.080048 Da
  • ChemSpider ID28600116

More details:

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

1011716-97-4 [RN]
4-(4-Oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-, methyl ester [ACD/Index Name]
Methyl 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate
Methyl 4-(4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate [ACD/IUPAC Name]
Methyl-4-(4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoat [German] [ACD/IUPAC Name]
methyl 4-(4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate
METHYL-4-(4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)BENZOATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 606.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.6±30.1 °C
Index of Refraction: 1.691
Molar Refractivity: 71.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.41
ACD/KOC (pH 5.5): 145.85
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 6.95
ACD/KOC (pH 7.4): 136.91
Polar Surface Area: 84 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 186.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement