ChemSpider 2D Image | (5,7-Dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid | C11H8O6

(5,7-Dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid

  • Molecular FormulaC11H8O6
  • Average mass236.178 Da
  • Monoisotopic mass236.032089 Da
  • ChemSpider ID21675290

More details:

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

(5,7-Dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid [ACD/IUPAC Name]
(5,7-Dihydroxy-2-oxo-2H-chromen-4-yl)essigsäure [German] [ACD/IUPAC Name]
2H-1-Benzopyran-4-acetic acid, 5,7-dihydroxy-2-oxo- [ACD/Index Name]
Acide (5,7-dihydroxy-2-oxo-2H-chromén-4-yl)acétique [French] [ACD/IUPAC Name]
(5,7-Dihydroxy-2-oxo-2H-chromen-4-yl)-acetic acid
2-(5,7-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid
92422-76-9 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL273984/
MFCD02673810
NS-03176

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 620.3±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.6±3.0 kJ/mol
    Flash Point: 251.5±21.7 °C
    Index of Refraction: 1.679
    Molar Refractivity: 54.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.73
    ACD/LogD (pH 5.5): -0.52
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.69
    ACD/LogD (pH 7.4): -2.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 21.6±0.5 10-24cm3
    Surface Tension: 82.7±3.0 dyne/cm
    Molar Volume: 144.1±3.0 cm3

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