ChemSpider 2D Image | 2-[2-(4-Methoxyphenyl)ethyl]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid | C19H17NO4

2-[2-(4-Methoxyphenyl)ethyl]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid

  • Molecular FormulaC19H17NO4
  • Average mass323.343 Da
  • Monoisotopic mass323.115753 Da
  • ChemSpider ID29204109

More details:

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

2-[2-(4-Methoxyphenyl)ethyl]-1-oxo-1,2-dihydro-4-isochinolincarbonsäure [German] [ACD/IUPAC Name]
2-[2-(4-Methoxyphenyl)ethyl]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid [ACD/IUPAC Name]
4-Isoquinolinecarboxylic acid, 1,2-dihydro-2-[2-(4-methoxyphenyl)ethyl]-1-oxo- [ACD/Index Name]
Acide 2-[2-(4-méthoxyphényl)éthyl]-1-oxo-1,2-dihydro-4-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
1352542-61-0 [RN]
2-[2-(4-methoxyphenyl)ethyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
2-[2-(4-Methoxy-phenyl)-ethyl]-1-oxo-1,2-dihydro-isoquinoline-4-carboxylic acid
2-[2-(4-methoxyphenyl)ethyl]-1-oxoisoquinoline-4-carboxylic acid
AGN-PC-0JJ1LS
AKOS016384685
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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: 520.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.5±3.0 kJ/mol
    Flash Point: 268.5±30.1 °C
    Index of Refraction: 1.626
    Molar Refractivity: 88.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.44
    ACD/LogD (pH 5.5): 2.94
    ACD/BCF (pH 5.5): 98.75
    ACD/KOC (pH 5.5): 913.44
    ACD/LogD (pH 7.4): 2.14
    ACD/BCF (pH 7.4): 15.71
    ACD/KOC (pH 7.4): 145.30
    Polar Surface Area: 67 Å2
    Polarizability: 35.0±0.5 10-24cm3
    Surface Tension: 56.0±3.0 dyne/cm
    Molar Volume: 249.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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