ChemSpider 2D Image | (1S,5R)-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid | C6H9NO2

(1S,5R)-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid

  • Molecular FormulaC6H9NO2
  • Average mass127.141 Da
  • Monoisotopic mass127.063332 Da
  • ChemSpider ID24582273

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,5R)-3-Azabicyclo[3.1.0]hexan-2-carbonsäure [German] [ACD/IUPAC Name]
(1S,5R)-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, (1S,5R)- [ACD/Index Name]
Acide (1S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylique [French] [ACD/IUPAC Name]
1279569-17-3 [RN]
22255-16-9 [RN]
27762-08-9 [RN]
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid [ACD/Index Name] [ACD/IUPAC Name]
3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXYLICACID
3-Azabicyclo[3.1.0]hexane-2-carboxylicacid, (1S,2S,5R)-
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: 280.3±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 57.1±6.0 kJ/mol
    Flash Point: 123.3±22.6 °C
    Index of Refraction: 1.551
    Molar Refractivity: 30.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.71
    ACD/LogD (pH 5.5): -2.53
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.53
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 49 Å2
    Polarizability: 12.1±0.5 10-24cm3
    Surface Tension: 50.7±3.0 dyne/cm
    Molar Volume: 95.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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