ChemSpider 2D Image | Methyl 3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3-(4-isopropoxy-3-methoxyphenyl)propanoate | C29H28O8

Methyl 3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3-(4-isopropoxy-3-methoxyphenyl)propanoate

  • Molecular FormulaC29H28O8
  • Average mass504.528 Da
  • Monoisotopic mass504.178406 Da
  • ChemSpider ID29772590

More details:

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

3-[7-Hydroxy-3-(4-hydroxyphényl)-4-oxo-4H-chromén-8-yl]-3-(4-isopropoxy-3-méthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, 7-hydroxy-3-(4-hydroxyphenyl)-β-[3-methoxy-4-(1-methylethoxy)phenyl]-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3-(4-isopropoxy-3-methoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3-(4-isopropoxy-3-methoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1574478-45-7 [RN]
METHYL 3-[7-HYDROXY-3-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN-8-YL]-3-[3-METHOXY-4-(PROPAN-2-YLOXY)PHENYL]PROPANOATE
methyl 3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoate
METHYL 3-[7-HYDROXY-3-(4-HYDROXYPHENYL)-4-OXOCHROMEN-8-YL]-3-(4-ISOPROPOXY-3-METHOXYPHENYL)PROPANOATE

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 697.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.7±3.0 kJ/mol
    Flash Point: 230.3±25.0 °C
    Index of Refraction: 1.611
    Molar Refractivity: 135.5±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.94
    ACD/LogD (pH 5.5): 4.72
    ACD/BCF (pH 5.5): 2227.91
    ACD/KOC (pH 5.5): 8516.44
    ACD/LogD (pH 7.4): 3.95
    ACD/BCF (pH 7.4): 384.83
    ACD/KOC (pH 7.4): 1471.06
    Polar Surface Area: 112 Å2
    Polarizability: 53.7±0.5 10-24cm3
    Surface Tension: 53.7±3.0 dyne/cm
    Molar Volume: 390.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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