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Search term: 113558-92-2 (Found by approved synonym)
ChemSpider 2D Image | 1-Benzoyl-3-pyrrolidinecarboxylic acid | C12H13NO3

1-Benzoyl-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC12H13NO3
  • Average mass219.236 Da
  • Monoisotopic mass219.089539 Da
  • ChemSpider ID25072714

More details:

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

113558-92-2 [RN]
1-Benzoyl-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
1-Benzoyl-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
1-benzoylpyrrolidine-3-carboxylic acid
3-Pyrrolidinecarboxylic acid, 1-benzoyl- [ACD/Index Name]
Acide 1-benzoyl-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
1834430-36-2 [RN]
1-Benzoylpyrrolidin-3-carboxylic acid
1-Benzoyl-pyrrolidine-3-carboxylic acid
1-benzoyl-pyrrolidine-3-carboxylicacid
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 428.9±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.1±3.0 kJ/mol
    Flash Point: 213.2±26.8 °C
    Index of Refraction: 1.599
    Molar Refractivity: 57.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.04
    ACD/LogD (pH 5.5): -0.85
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.35
    ACD/LogD (pH 7.4): -2.65
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 58 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 57.8±3.0 dyne/cm
    Molar Volume: 169.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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