ChemSpider 2D Image | Ethyl (5,7-dihydroxy-2-oxo-2H-chromen-4-yl)acetate | C13H12O6

Ethyl (5,7-dihydroxy-2-oxo-2H-chromen-4-yl)acetate

  • Molecular FormulaC13H12O6
  • Average mass264.231 Da
  • Monoisotopic mass264.063385 Da
  • ChemSpider ID21786166

More details:

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

(5,7-Dihydroxy-2-oxo-2H-chromén-4-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-4-acetic acid, 5,7-dihydroxy-2-oxo-, ethyl ester [ACD/Index Name]
91903-73-0 [RN]
Ethyl (5,7-dihydroxy-2-oxo-2H-chromen-4-yl)acetate [ACD/IUPAC Name]
Ethyl 2-(5,7-dihydroxy-2-oxo-2H-chromen-4-yl)acetate
Ethyl 5,7-dihydroxy-2-oxo-2H-1-benzopyran-4-acetate
Ethyl-(5,7-dihydroxy-2-oxo-2H-chromen-4-yl)acetat [German] [ACD/IUPAC Name]
ethyl 2-(5,7-dihydroxy-2-oxochromen-4-yl)acetate
MFCD11108910 [MDL number]
NS-04140

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 521.1±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.4±3.0 kJ/mol
    Flash Point: 203.8±20.3 °C
    Index of Refraction: 1.603
    Molar Refractivity: 63.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.72
    ACD/LogD (pH 5.5): 1.74
    ACD/BCF (pH 5.5): 12.27
    ACD/KOC (pH 5.5): 207.43
    ACD/LogD (pH 7.4): 1.16
    ACD/BCF (pH 7.4): 3.23
    ACD/KOC (pH 7.4): 54.63
    Polar Surface Area: 93 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 60.2±3.0 dyne/cm
    Molar Volume: 186.0±3.0 cm3

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