Found 12 results

Search term: MF = 'C_{11}H_{5}N_{3}O_{4}'
ChemSpider 2D Image | 5-[(5-Isocyanato-2-furyl)ethynyl]-2,4-pyrimidinediol | C11H5N3O4

5-[(5-Isocyanato-2-furyl)ethynyl]-2,4-pyrimidinediol

  • Molecular FormulaC11H5N3O4
  • Average mass243.175 Da
  • Monoisotopic mass243.028000 Da
  • ChemSpider ID85643589

More details:

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

2,4-Pyrimidinediol, 5-[2-(5-isocyanato-2-furanyl)ethynyl]- [ACD/Index Name]
5-[(5-Isocyanato-2-furyl)ethinyl]-2,4-pyrimidindiol [German] [ACD/IUPAC Name]
5-[(5-Isocyanato-2-furyl)ethynyl]-2,4-pyrimidinediol [ACD/IUPAC Name]
5-[(5-Isocyanato-2-furyl)éthynyl]-2,4-pyrimidinediol [French] [ACD/IUPAC 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: 561.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 293.4±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 61.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -3.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 62.7±7.0 dyne/cm
Molar Volume: 165.2±7.0 cm3

Click to predict properties on the Chemicalize site


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