ChemSpider 2D Image | 4-[1-(3,4-Diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl]benzoic acid | C30H33NO7

4-[1-(3,4-Diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl]benzoic acid

  • Molecular FormulaC30H33NO7
  • Average mass519.586 Da
  • Monoisotopic mass519.225708 Da
  • ChemSpider ID2841869

More details:

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

4-[1-(3,4-Diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydro-2(1H)-isochinolinyl]benzoesäure [German] [ACD/IUPAC Name]
4-[1-(3,4-Diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[1-(3,4-diéthoxyphényl)-6,7-diéthoxy-3-oxo-3,4-dihydro-2(1H)-isoquinoléinyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3,4-dihydro-3-oxo-2(1H)-isoquinolinyl]- [ACD/Index Name]
4-[(1S)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid
4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid
673438-84-1 [RN]
AC1MTQII
AGN-PC-0K5123
AKOS001673778
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCGC00100483-01 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 728.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.6±3.0 kJ/mol
    Flash Point: 394.3±32.9 °C
    Index of Refraction: 1.586
    Molar Refractivity: 143.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 5.69
    ACD/LogD (pH 5.5): 3.37
    ACD/BCF (pH 5.5): 109.15
    ACD/KOC (pH 5.5): 453.69
    ACD/LogD (pH 7.4): 1.76
    ACD/BCF (pH 7.4): 2.70
    ACD/KOC (pH 7.4): 11.21
    Polar Surface Area: 95 Å2
    Polarizability: 56.8±0.5 10-24cm3
    Surface Tension: 48.3±3.0 dyne/cm
    Molar Volume: 426.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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