ChemSpider 2D Image | 2-Amino-6-isopropyl-4-oxo-4H-chromene-3-carbaldehyde | C13H13NO3

2-Amino-6-isopropyl-4-oxo-4H-chromene-3-carbaldehyde

  • Molecular FormulaC13H13NO3
  • Average mass231.247 Da
  • Monoisotopic mass231.089539 Da
  • ChemSpider ID21499687

More details:

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

2-amino-4-oxo-6-(propan-2-yl)-4H-chromene-3-carbaldehyde
2-Amino-6-isopropyl-4-oxo-4H-benzopyran-3-carboxaldehyde
2-Amino-6-isopropyl-4-oxo-4H-chromen-3-carbaldehyd [German] [ACD/IUPAC Name]
2-Amino-6-isopropyl-4-oxo-4H-chromene-3-carbaldehyde [ACD/IUPAC Name]
2-Amino-6-isopropyl-4-oxo-4H-chromène-3-carbaldéhyde [French] [ACD/IUPAC Name]
4H-1-Benzopyran-3-carboxaldehyde, 2-amino-6-(1-methylethyl)-4-oxo- [ACD/Index Name]
68301-82-6 [RN]
[68301-82-6] [RN]
2-Amino-4-oxo-6-(propan-2-yl)-4H-1-benzopyran-3-carbaldehyde
2-amino-4-oxo-6-propan-2-yl-1-benzopyran-3-carboxaldehyde
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 418.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.3±3.0 kJ/mol
    Flash Point: 215.4±25.0 °C
    Index of Refraction: 1.643
    Molar Refractivity: 64.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.79
    ACD/LogD (pH 5.5): 1.21
    ACD/BCF (pH 5.5): 4.89
    ACD/KOC (pH 5.5): 108.45
    ACD/LogD (pH 7.4): 1.21
    ACD/BCF (pH 7.4): 4.89
    ACD/KOC (pH 7.4): 108.48
    Polar Surface Area: 69 Å2
    Polarizability: 25.4±0.5 10-24cm3
    Surface Tension: 59.9±3.0 dyne/cm
    Molar Volume: 177.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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