ChemSpider 2D Image | 5-(3,4-Dimethoxyphenyl)nicotinic acid | C14H13NO4

5-(3,4-Dimethoxyphenyl)nicotinic acid

  • Molecular FormulaC14H13NO4
  • Average mass259.257 Da
  • Monoisotopic mass259.084473 Da
  • ChemSpider ID21540787

More details:

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

3-Pyridinecarboxylic acid, 5-(3,4-dimethoxyphenyl)- [ACD/Index Name]
5-(3,4-Dimethoxyphenyl)-3-pyridinecarboxylic acid
5-(3,4-Dimethoxyphenyl)nicotinic acid [ACD/IUPAC Name]
5-(3,4-Dimethoxyphenyl)nicotinsäure [German] [ACD/IUPAC Name]
887973-42-4 [RN]
Acide 5-(3,4-diméthoxyphényl)nicotinique [French] [ACD/IUPAC Name]
[887973-42-4] [RN]
5-(3,4-DIMETHOXYPHENYL)PYRIDINE-3-CARBOXYLIC ACID
5-(3.4-Dimethoxyphenyl)-nicotinic acid
MFCD06410296 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 456.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.4±3.0 kJ/mol
    Flash Point: 229.6±28.7 °C
    Index of Refraction: 1.578
    Molar Refractivity: 69.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.75
    ACD/LogD (pH 5.5): 0.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.90
    ACD/LogD (pH 7.4): -0.99
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 69 Å2
    Polarizability: 27.4±0.5 10-24cm3
    Surface Tension: 48.5±3.0 dyne/cm
    Molar Volume: 208.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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