ChemSpider 2D Image | 9-{[(2E)-6-Hydroperoxy-3,7-dimethyl-2,7-octadien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one | C21H22O6

9-{[(2E)-6-Hydroperoxy-3,7-dimethyl-2,7-octadien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one

  • Molecular FormulaC21H22O6
  • Average mass370.396 Da
  • Monoisotopic mass370.141632 Da
  • ChemSpider ID28424432

  • Double-bond stereo - Double-bond stereo

More details:

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

151121-39-0 [RN]
7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2E)-6-hydroperoxy-3,7-dimethyl-2,7-octadien-1-yl]oxy]- [ACD/Index Name]
9-{[(2E)-6-Hydroperoxy-3,7-dimethyl-2,7-octadien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-on [German] [ACD/IUPAC Name]
9-{[(2E)-6-Hydroperoxy-3,7-dimethyl-2,7-octadien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one [ACD/IUPAC Name]
9-{[(2E)-6-Hydroperoxy-3,7-diméthyl-2,7-octadién-1-yl]oxy}-7H-furo[3,2-g]chromén-7-one [French] [ACD/IUPAC Name]
[151121-39-0] [RN]
4-Isopropyl-3-thiosemicarbazide
4-Isopropyl-3-thiosemicarbazide;N-Isopropylhydrazinecarbothioamide
8-(6-Hydroperoxy-3,7-dimethyl-2,7-octadienyloxy)psoralen
8-(6-Hydroperoxy-3,7-dimethylocta-2,7-dienyloxy)psoralen
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 578.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.0±3.0 kJ/mol
    Flash Point: 303.5±30.1 °C
    Index of Refraction: 1.590
    Molar Refractivity: 101.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 5.19
    ACD/LogD (pH 5.5): 4.65
    ACD/BCF (pH 5.5): 2020.67
    ACD/KOC (pH 5.5): 8084.81
    ACD/LogD (pH 7.4): 4.65
    ACD/BCF (pH 7.4): 2020.36
    ACD/KOC (pH 7.4): 8083.58
    Polar Surface Area: 78 Å2
    Polarizability: 40.0±0.5 10-24cm3
    Surface Tension: 48.6±3.0 dyne/cm
    Molar Volume: 299.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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