ChemSpider 2D Image | 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-(4-pyridinyl)-1H-1,2,3-triazole-4-carboxylic acid | C16H12N4O4

1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-(4-pyridinyl)-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC16H12N4O4
  • Average mass324.291 Da
  • Monoisotopic mass324.085846 Da
  • ChemSpider ID27313438

More details:

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

1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-(4-pyridinyl)-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-(4-pyridinyl)-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-pyridinyl)- [ACD/Index Name]
Acide 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-pyridinyl)-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
[1326893-82-6] [RN]
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-pyridyl)-1H-1,2,3-triazole-4-carboxylic acid
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-4-yl-1H-1,2,3-triazole-4-carboxylic acid
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-4-yltriazole-4-carboxylic acid
1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-pyridin-4-yl-1H-[1,2,3]triazole-4-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 569.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.8±3.0 kJ/mol
    Flash Point: 297.9±32.9 °C
    Index of Refraction: 1.735
    Molar Refractivity: 83.7±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.86
    ACD/LogD (pH 5.5): -1.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.89
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 99 Å2
    Polarizability: 33.2±0.5 10-24cm3
    Surface Tension: 66.7±7.0 dyne/cm
    Molar Volume: 208.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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