ChemSpider 2D Image | 3-(7-Hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid | C18H14O5

3-(7-Hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid

  • Molecular FormulaC18H14O5
  • Average mass310.301 Da
  • Monoisotopic mass310.084137 Da
  • ChemSpider ID21477688

More details:

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

2H-1-Benzopyran-6-propanoic acid, 7-hydroxy-2-oxo-4-phenyl- [ACD/Index Name]
3-(7-Hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid [ACD/IUPAC Name]
3-(7-Hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(7-hydroxy-2-oxo-4-phényl-2H-chromén-6-yl)propanoïque [French] [ACD/IUPAC Name]
1146917-65-8 [RN]
3-(7-Hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)-propionic acid
3-(7-hydroxy-2-oxo-4-phenylchromen-6-yl)propanoic acid
31R
MFCD14704081 [MDL number]
VS-11306

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 579.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.3±3.0 kJ/mol
    Flash Point: 217.1±23.6 °C
    Index of Refraction: 1.660
    Molar Refractivity: 81.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.60
    ACD/LogD (pH 5.5): 2.07
    ACD/BCF (pH 5.5): 11.90
    ACD/KOC (pH 5.5): 99.89
    ACD/LogD (pH 7.4): 0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.27
    Polar Surface Area: 84 Å2
    Polarizability: 32.4±0.5 10-24cm3
    Surface Tension: 65.9±3.0 dyne/cm
    Molar Volume: 221.7±3.0 cm3

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