ChemSpider 2D Image | {4-[2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-10-yl]-2-methoxyphenoxy}acetic acid | C27H20O12

{4-[2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-10-yl]-2-methoxyphenoxy}acetic acid

  • Molecular FormulaC27H20O12
  • Average mass536.440 Da
  • Monoisotopic mass536.095459 Da
  • ChemSpider ID32510767

More details:

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

{4-[2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-10-yl]-2-methoxyphenoxy}acetic acid [ACD/IUPAC Name]
{4-[2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-10-yl]-2-methoxyphenoxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[4-[2-(3,4-dihydroxyphenyl)-9,10-dihydro-3,5-dihydroxy-4,8-dioxo-4H,8H-benzo[1,2-b:3,4-b']dipyran-10-yl]-2-methoxyphenoxy]- [ACD/Index Name]
Acide {4-[2-(3,4-dihydroxyphényl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromén-10-yl]-2-méthoxyphénoxy}acétique [French] [ACD/IUPAC Name]
1630862-56-4 [RN]
2-(4-(2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-4,8,9,10-tetrahydropyrano[2,3-f]chromen-10-yl)-2-methoxyphenoxy)acetic acid
2-[4-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]-2-methoxyphenoxy]acetic acid

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 802.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 122.4±3.0 kJ/mol
    Flash Point: 272.6±27.8 °C
    Index of Refraction: 1.721
    Molar Refractivity: 129.3±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 5
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: 2.86
    ACD/LogD (pH 5.5): -0.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.64
    ACD/LogD (pH 7.4): -2.23
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 189 Å2
    Polarizability: 51.3±0.5 10-24cm3
    Surface Tension: 86.7±3.0 dyne/cm
    Molar Volume: 327.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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