ChemSpider 2D Image | 2-[3-Acetoxy-4-(benzyloxy)phenyl]-3,7-dimethoxy-4-oxo-4H-chromen-5-yl acetate | C28H24O9

2-[3-Acetoxy-4-(benzyloxy)phenyl]-3,7-dimethoxy-4-oxo-4H-chromen-5-yl acetate

  • Molecular FormulaC28H24O9
  • Average mass504.485 Da
  • Monoisotopic mass504.142029 Da
  • ChemSpider ID882638

More details:

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

2-[3-Acetoxy-4-(benzyloxy)phenyl]-3,7-dimethoxy-4-oxo-4H-chromen-5-yl acetate [ACD/IUPAC Name]
2-[3-Acetoxy-4-(benzyloxy)phenyl]-3,7-dimethoxy-4-oxo-4H-chromen-5-yl-acetat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-(acetyloxy)-2-[3-(acetyloxy)-4-(phenylmethoxy)phenyl]-3,7-dimethoxy- [ACD/Index Name]
Acétate de 2-[3-acétoxy-4-(benzyloxy)phényl]-3,7-diméthoxy-4-oxo-4H-chromén-5-yle [French] [ACD/IUPAC Name]
[2-(3-acetyloxy-4-phenylmethoxyphenyl)-3,7-dimethoxy-4-oxochromen-5-yl] acetate
2-[3-(acetyloxy)-4-(benzyloxy)phenyl]-3,7-dimethoxy-4-oxo-4H-chromen-5-yl acetate
5-(5-acetoxy-3,7-dimethoxy-4-oxo-4H-chromen-2-yl)-2-(benzyloxy)phenyl acetate
56606-46-3 [RN]

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

ZINC00689652 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 675.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.2±3.0 kJ/mol
    Flash Point: 287.1±31.5 °C
    Index of Refraction: 1.622
    Molar Refractivity: 130.7±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 3.04
    ACD/LogD (pH 5.5): 4.04
    ACD/BCF (pH 5.5): 694.52
    ACD/KOC (pH 5.5): 3764.25
    ACD/LogD (pH 7.4): 4.04
    ACD/BCF (pH 7.4): 694.52
    ACD/KOC (pH 7.4): 3764.25
    Polar Surface Area: 107 Å2
    Polarizability: 51.8±0.5 10-24cm3
    Surface Tension: 59.7±5.0 dyne/cm
    Molar Volume: 370.9±5.0 cm3

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