ChemSpider 2D Image | 4-Methyl-7-[2-(1H-1,2,4-triazol-1-yl)ethoxy]-2H-chromen-2-one | C14H13N3O3

4-Methyl-7-[2-(1H-1,2,4-triazol-1-yl)ethoxy]-2H-chromen-2-one

  • Molecular FormulaC14H13N3O3
  • Average mass271.271 Da
  • Monoisotopic mass271.095703 Da
  • ChemSpider ID30656601

More details:

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

2H-1-Benzopyran-2-one, 4-methyl-7-[2-(1H-1,2,4-triazol-1-yl)ethoxy]- [ACD/Index Name]
4-Methyl-7-[2-(1H-1,2,4-triazol-1-yl)ethoxy]-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-Methyl-7-[2-(1H-1,2,4-triazol-1-yl)ethoxy]-2H-chromen-2-one [ACD/IUPAC Name]
4-Méthyl-7-[2-(1H-1,2,4-triazol-1-yl)éthoxy]-2H-chromén-2-one [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: 522.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 270.0±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 72.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.26
ACD/KOC (pH 5.5): 143.69
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.27
ACD/KOC (pH 7.4): 144.00
Polar Surface Area: 66 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 202.1±7.0 cm3

Click to predict properties on the Chemicalize site


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