ChemSpider 2D Image | 2,4-Dihydroxyquinazoline-6-carbonitrile | C9H5N3O2

2,4-Dihydroxyquinazoline-6-carbonitrile

  • Molecular FormulaC9H5N3O2
  • Average mass187.155 Da
  • Monoisotopic mass187.038177 Da
  • ChemSpider ID29738079

More details:

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

1,2,3,4-Tetrahydro-2,4-dioxo-6-quinazolinecarbonitrile
1334331-27-9 [RN]
2,4-Dihydroxyquinazoline-6-carbonitrile
2,4-Dioxo-1,2,3,4-tetrahydro-6-chinazolincarbonitril [German] [ACD/IUPAC Name]
2,4-Dioxo-1,2,3,4-tetrahydro-6-quinazolinecarbonitrile [ACD/IUPAC Name]
2,4-Dioxo-1,2,3,4-tétrahydro-6-quinazolinecarbonitrile [French] [ACD/IUPAC Name]
6-Quinazolinecarbonitrile, 1,2,3,4-tetrahydro-2,4-dioxo- [ACD/Index Name]
2,4-Dioxo-1,2,3,4-tetrahydroquinazoline-6-carbonitrile
2,4-dioxo-1H-quinazoline-6-carbonitrile
MFCD27922962

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 583.2±53.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.4±3.0 kJ/mol
    Flash Point: 306.5±30.9 °C
    Index of Refraction: 1.770
    Molar Refractivity: 47.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.29
    ACD/LogD (pH 5.5): -2.96
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.98
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 90 Å2
    Polarizability: 18.8±0.5 10-24cm3
    Surface Tension: 121.1±5.0 dyne/cm
    Molar Volume: 114.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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