ChemSpider 2D Image | (1S,2S)-2-Nitrocyclopropanecarboxylic acid | C4H5NO4

(1S,2S)-2-Nitrocyclopropanecarboxylic acid

  • Molecular FormulaC4H5NO4
  • Average mass131.087 Da
  • Monoisotopic mass131.021851 Da
  • ChemSpider ID34208468

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-Nitrocyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1S,2S)-2-Nitrocyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,2S)-2-nitrocyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-nitro-, (1S,2S)- [ACD/Index Name]
(1S,2S)-2-nitrocyclopropane-1-carboxylic acid
1820574-55-7 [RN]
22882-43-5 [RN]
cyclopropanecarboxylic acid, 2-nitro-, (1S,2S)
MFCD28118693
MFCD28390175
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 337.3±31.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 63.8±6.0 kJ/mol
    Flash Point: 164.5±13.3 °C
    Index of Refraction: 1.530
    Molar Refractivity: 26.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.79
    ACD/LogD (pH 5.5): -2.64
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.93
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 83 Å2
    Polarizability: 10.4±0.5 10-24cm3
    Surface Tension: 61.9±5.0 dyne/cm
    Molar Volume: 84.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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