ChemSpider 2D Image | 4-Oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid | C7H4N2O3S

4-Oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid

  • Molecular FormulaC7H4N2O3S
  • Average mass196.183 Da
  • Monoisotopic mass195.994263 Da
  • ChemSpider ID27234927

More details:

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

4-Oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-carbonsäure [German] [ACD/IUPAC Name]
4-Oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid [ACD/IUPAC Name]
Acide 4-oxo-1,4-dihydrothiéno[2,3-d]pyrimidine-6-carboxylique [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-6-carboxylic acid, 3,4-dihydro-4-oxo- [ACD/Index Name]
[439693-47-7] [RN]
1,2,3,4-tetrahydroisoquinolin-3-one
1,2-dihydroisoquinolin-3(4H)-one
1,4-Dihydro-2H-isoquinolin-3-one
1,4-Dihydro-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
439693-47-7 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.9±0.1 g/cm3
    Boiling Point: 583.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.7±3.0 kJ/mol
    Flash Point: 306.4±25.9 °C
    Index of Refraction: 1.843
    Molar Refractivity: 46.2±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.12
    ACD/LogD (pH 5.5): -1.27
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 107 Å2
    Polarizability: 18.3±0.5 10-24cm3
    Surface Tension: 90.9±7.0 dyne/cm
    Molar Volume: 104.0±7.0 cm3

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