ChemSpider 2D Image | 3,5-Dihydroxy-2-(3-hydroxy-4-methoxy-2,4-cyclohexadien-1-yl)-7-methoxy-4H-chromen-4-one | C17H16O7

3,5-Dihydroxy-2-(3-hydroxy-4-methoxy-2,4-cyclohexadien-1-yl)-7-methoxy-4H-chromen-4-one

  • Molecular FormulaC17H16O7
  • Average mass332.305 Da
  • Monoisotopic mass332.089600 Da
  • ChemSpider ID28537010

More details:

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

3,5-Dihydroxy-2-(3-hydroxy-4-methoxy-2,4-cyclohexadien-1-yl)-7-methoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,5-Dihydroxy-2-(3-hydroxy-4-methoxy-2,4-cyclohexadien-1-yl)-7-methoxy-4H-chromen-4-one [ACD/IUPAC Name]
3,5-Dihydroxy-2-(3-hydroxy-4-méthoxy-2,4-cyclohexadién-1-yl)-7-méthoxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(3-hydroxy-4-methoxy-2,4-cyclohexadien-1-yl)-7-methoxy- [ACD/Index Name]
1547339-62-7 [RN]
3,5-Dihydroxy-2-(3-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)-7-methoxy-4H-chromen-4-one
3,5-dihydroxy-2-(3-hydroxy-4-methoxycyclohexa-2,4-dien-1-yl)-7-methoxychromen-4-one
5,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
529-40-8 [RN]
MFCD00017424 [MDL number]
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 612.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.6±3.0 kJ/mol
    Flash Point: 228.4±25.0 °C
    Index of Refraction: 1.675
    Molar Refractivity: 82.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.60
    ACD/LogD (pH 5.5): 2.06
    ACD/BCF (pH 5.5): 20.98
    ACD/KOC (pH 5.5): 294.18
    ACD/LogD (pH 7.4): 0.96
    ACD/BCF (pH 7.4): 1.67
    ACD/KOC (pH 7.4): 23.49
    Polar Surface Area: 105 Å2
    Polarizability: 32.6±0.5 10-24cm3
    Surface Tension: 74.2±5.0 dyne/cm
    Molar Volume: 219.1±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement