ChemSpider 2D Image | Ethyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate | C10H13N3O3

Ethyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate

  • Molecular FormulaC10H13N3O3
  • Average mass223.229 Da
  • Monoisotopic mass223.095688 Da
  • ChemSpider ID21108007

More details:

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

4H-Pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid, 5,6,7,8-tetrahydro-4-oxo-, ethyl ester [ACD/Index Name]
4-Oxo-5,6,7,8-tetrahydro-4H-1,5,8a-triaza-azulene-2-carboxylic acid ethyl ester
4-Oxo-5,6,7,8-tétrahydro-4H-pyrazolo[1,5-a][1,4]diazépine-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
604003-26-1 [RN]
Ethyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-carboxylat [German] [ACD/IUPAC Name]
[604003-26-1] [RN]
1196155-47-1 [RN]
4h-​pyrazolo[1,​5-​a]​[1,​4]​diazepine-​2-​carboxylic acid, 5,​6,​7,​8-​tetrahydro-​4-​oxo-​, ethyl ester
4h-???pyrazolo[1,???5-???a]???[1,???4]???diazepine-???2-???carboxylic acid, 5,???6,???7,???8-???tetrahydro-???4-???oxo-???, ethyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 505.1±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.5±3.0 kJ/mol
    Flash Point: 259.3±26.8 °C
    Index of Refraction: 1.639
    Molar Refractivity: 56.5±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.86
    ACD/LogD (pH 5.5): -0.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 21.34
    ACD/LogD (pH 7.4): -0.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 21.34
    Polar Surface Area: 73 Å2
    Polarizability: 22.4±0.5 10-24cm3
    Surface Tension: 55.0±7.0 dyne/cm
    Molar Volume: 157.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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