ChemSpider 2D Image | 4-[(5-Iodo-2-methyl-6-oxo-1(6H)-pyrimidinyl)methyl]-5-methyl-2-furoic acid | C12H11IN2O4

4-[(5-Iodo-2-methyl-6-oxo-1(6H)-pyrimidinyl)methyl]-5-methyl-2-furoic acid

  • Molecular FormulaC12H11IN2O4
  • Average mass374.131 Da
  • Monoisotopic mass373.976349 Da
  • ChemSpider ID49378378

More details:

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

2-Furancarboxylic acid, 4-[(5-iodo-2-methyl-6-oxo-1(6H)-pyrimidinyl)methyl]-5-methyl- [ACD/Index Name]
4-[(5-Iod-2-methyl-6-oxo-1(6H)-pyrimidinyl)methyl]-5-methyl-2-furoesäure [German] [ACD/IUPAC Name]
4-[(5-Iodo-2-methyl-6-oxo-1(6H)-pyrimidinyl)methyl]-5-methyl-2-furoic acid [ACD/IUPAC Name]
Acide 4-[(5-iodo-2-méthyl-6-oxo-1(6H)-pyrimidinyl)méthyl]-5-méthyl-2-furoïque [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 477.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.5±31.5 °C
Index of Refraction: 1.691
Molar Refractivity: 76.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.42
ACD/LogD (pH 7.4): -1.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 198.5±7.0 cm3

Click to predict properties on the Chemicalize site


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