ChemSpider 2D Image | Aristolindiquinone | C12H10O4

Aristolindiquinone

  • Molecular FormulaC12H10O4
  • Average mass218.205 Da
  • Monoisotopic mass218.057907 Da
  • ChemSpider ID30791159

More details:

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

1,4-Naphthalenedione, 2,5-dihydroxy-3,8-dimethyl- [ACD/Index Name]
2,5-Dihydroxy-3,8-dimethyl-1,4-naphthochinon [German] [ACD/IUPAC Name]
2,5-Dihydroxy-3,8-dimethyl-1,4-naphthoquinone [ACD/IUPAC Name]
2,5-Dihydroxy-3,8-diméthyl-1,4-naphtoquinone [French] [ACD/IUPAC Name]
Aristolindiquinone
2,5-dihydroxy-3,8-dimethylnaphthalene-1,4-dione
4,5-dihydroxy-3,8-dimethylnaphthalene-1,2-dione
86533-36-0 [RN]
MFCD18448228

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

C10300 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 456.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.5±3.0 kJ/mol
    Flash Point: 243.9±25.2 °C
    Index of Refraction: 1.667
    Molar Refractivity: 55.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.67
    ACD/LogD (pH 5.5): 1.47
    ACD/BCF (pH 5.5): 5.53
    ACD/KOC (pH 5.5): 79.48
    ACD/LogD (pH 7.4): -0.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 69.4±3.0 dyne/cm
    Molar Volume: 150.2±3.0 cm3

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