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Search term: RLEHNDBLZHUFMT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-3-methoxy-3-oxopropyl]benzoic acid | C20H16O7

4-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-3-methoxy-3-oxopropyl]benzoic acid

  • Molecular FormulaC20H16O7
  • Average mass368.337 Da
  • Monoisotopic mass368.089600 Da
  • ChemSpider ID32512430

More details:

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

2H-1-Benzopyran-3-propanoic acid, β-(4-carboxyphenyl)-4-hydroxy-2-oxo-, α-methyl ester [ACD/Index Name]
4-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-3-methoxy-3-oxopropyl]benzoesäure [German] [ACD/IUPAC Name]
4-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-3-methoxy-3-oxopropyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[1-(4-hydroxy-2-oxo-2H-chromén-3-yl)-3-méthoxy-3-oxopropyl]benzoïque [French] [ACD/IUPAC Name]
1630848-56-4 [RN]
4-(1-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-methoxy-3-oxopropyl)benzoic acid
4-[1-(4-hydroxy-2-oxochromen-3-yl)-3-methoxy-3-oxopropyl]benzoic acid

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 622.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 97.0±3.0 kJ/mol
    Flash Point: 225.4±25.0 °C
    Index of Refraction: 1.652
    Molar Refractivity: 93.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.68
    ACD/LogD (pH 5.5): 1.09
    ACD/BCF (pH 5.5): 1.06
    ACD/KOC (pH 5.5): 7.58
    ACD/LogD (pH 7.4): -1.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 110 Å2
    Polarizability: 36.9±0.5 10-24cm3
    Surface Tension: 68.7±3.0 dyne/cm
    Molar Volume: 254.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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