ChemSpider 2D Image | 4-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-3-(methoxycarbonyl)-1-(methoxymethoxy)-2-naphthoic acid | C26H28O11

4-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-3-(methoxycarbonyl)-1-(methoxymethoxy)-2-naphthoic acid

  • Molecular FormulaC26H28O11
  • Average mass516.494 Da
  • Monoisotopic mass516.163147 Da
  • ChemSpider ID8729291

More details:

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

2,3-Naphthalenedicarboxylic acid, 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-(methoxymethoxy)-, 3-methyl ester [ACD/Index Name]
4-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-3-(methoxycarbonyl)-1-(methoxymethoxy)-2-naphthoesäure [German] [ACD/IUPAC Name]
4-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-3-(methoxycarbonyl)-1-(methoxymethoxy)-2-naphthoic acid [ACD/IUPAC Name]
Acide 4-(3,4-diméthoxyphényl)-5,6,7-triméthoxy-3-(méthoxycarbonyl)-1-(méthoxyméthoxy)-2-naphtoïque [French] [ACD/IUPAC Name]
114593-71-4 [RN]
4-(3,4-DIMETHOXY-PHENYL)-5,6,7-TRIMETHOXY-1-METHOXYMETHOXY-NAPHTHALENE-2,3-DICARBOXYLIC ACID 3-METHYL ESTER

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 647.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.3±3.0 kJ/mol
    Flash Point: 212.6±25.0 °C
    Index of Refraction: 1.573
    Molar Refractivity: 133.8±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 1.60
    ACD/LogD (pH 5.5): 0.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.73
    ACD/LogD (pH 7.4): -0.43
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 128 Å2
    Polarizability: 53.1±0.5 10-24cm3
    Surface Tension: 44.8±3.0 dyne/cm
    Molar Volume: 406.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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