ChemSpider 2D Image | Methyl 4-cyano-2-furoate | C7H5NO3

Methyl 4-cyano-2-furoate

  • Molecular FormulaC7H5NO3
  • Average mass151.120 Da
  • Monoisotopic mass151.026947 Da
  • ChemSpider ID24203516

More details:

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

2-Furancarboxylic acid, 4-cyano-, methyl ester [ACD/Index Name]
357289-65-7 [RN]
4-cyano-2-Furancarboxylic acid methyl ester
4-Cyano-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-cyano-2-furoate [ACD/IUPAC Name]
Methyl 4-cyanofuran-2-carboxylate
Methyl-4-cyan-2-furoat [German] [ACD/IUPAC Name]
2-Furancarboxylic acid, 4-cyano-, methyl ester (9CI)
2-Furancarboxylicacid,4-cyano-,methylester(9CI)
4-Cyanofuran-2-carboxylic acid methyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 264.3±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.2±3.0 kJ/mol
    Flash Point: 113.7±23.2 °C
    Index of Refraction: 1.502
    Molar Refractivity: 34.9±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.61
    ACD/LogD (pH 5.5): 1.03
    ACD/BCF (pH 5.5): 3.59
    ACD/KOC (pH 5.5): 86.92
    ACD/LogD (pH 7.4): 1.03
    ACD/BCF (pH 7.4): 3.59
    ACD/KOC (pH 7.4): 86.92
    Polar Surface Area: 63 Å2
    Polarizability: 13.8±0.5 10-24cm3
    Surface Tension: 48.3±5.0 dyne/cm
    Molar Volume: 118.4±5.0 cm3

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