ChemSpider 2D Image | methyl 5-formylisoxazole-3-carboxylate | C6H5NO4

methyl 5-formylisoxazole-3-carboxylate

  • Molecular FormulaC6H5NO4
  • Average mass155.108 Da
  • Monoisotopic mass155.021851 Da
  • ChemSpider ID21415065

More details:

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

22667-21-6 [RN]
3-Isoxazolecarboxylic acid, 5-formyl-, methyl ester [ACD/Index Name]
5-Formyl-1,2-oxazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-formyl-1,2-oxazole-3-carboxylate [ACD/IUPAC Name]
methyl 5-formylisoxazole-3-carboxylate
Methyl-5-formyl-1,2-oxazol-3-carboxylat [German] [ACD/IUPAC Name]
[22667-21-6] [RN]
3-Isoxazolecarboxylic acid, 5-formyl-, methyl ester (8CI,9CI)
Methyl5-formylisoxazole-3-carboxylate
MFCD11656600 [MDL number]

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

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 306.4±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.7±3.0 kJ/mol
    Flash Point: 139.1±23.7 °C
    Index of Refraction: 1.524
    Molar Refractivity: 35.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.44
    ACD/LogD (pH 5.5): -0.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 23.14
    ACD/LogD (pH 7.4): -0.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 23.14
    Polar Surface Area: 69 Å2
    Polarizability: 13.9±0.5 10-24cm3
    Surface Tension: 49.7±3.0 dyne/cm
    Molar Volume: 115.0±3.0 cm3

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