ChemSpider 2D Image | 3,3'-[(2-Nitrophenyl)methylene]bis(4-hydroxy-2H-chromen-2-one) | C25H15NO8

3,3'-[(2-Nitrophenyl)methylene]bis(4-hydroxy-2H-chromen-2-one)

  • Molecular FormulaC25H15NO8
  • Average mass457.388 Da
  • Monoisotopic mass457.079773 Da
  • ChemSpider ID21246123

More details:

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

10172-69-7 [RN]
2H-1-Benzopyran-2-one, 3,3'-[(2-nitrophenyl)methylene]bis[4-hydroxy- [ACD/Index Name]
3,3'-[(2-Nitrophenyl)methylen]bis(4-hydroxy-2H-chromen-2-on) [German] [ACD/IUPAC Name]
3,3'-[(2-Nitrophenyl)methylene]bis(4-hydroxy-2H-chromen-2-one) [ACD/IUPAC Name]
3,3'-[(2-Nitrophényl)méthylène]bis(4-hydroxy-2H-chromén-2-one) [French] [ACD/IUPAC Name]
3,3'-[(2-nitrophenyl)methanediyl]bis(4-hydroxy-2H-chromen-2-one)
3,3'-[(2-Nitrophenyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one)
4-HYDROXY-3-[(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)(2-NITROPHENYL)METHYL]-2H-CHROMEN-2-ONE
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(2-nitrophenyl)methyl]chromen-2-one
4-HYDROXY-3-[(4-HYDROXY-2-OXOCHROMEN-3-YL)(2-NITROPHENYL)METHYL]CHROMEN-2-ONE

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 768.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 117.3±3.0 kJ/mol
    Flash Point: 418.4±32.9 °C
    Index of Refraction: 1.758
    Molar Refractivity: 116.4±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 5.11
    ACD/LogD (pH 5.5): 2.59
    ACD/BCF (pH 5.5): 26.55
    ACD/KOC (pH 5.5): 153.40
    ACD/LogD (pH 7.4): 0.85
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.74
    Polar Surface Area: 139 Å2
    Polarizability: 46.1±0.5 10-24cm3
    Surface Tension: 88.4±3.0 dyne/cm
    Molar Volume: 283.6±3.0 cm3

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