ChemSpider 2D Image | (1S,5S)-3-Oxo-2-azabicyclo[3.1.0]hexane-1-carboxylic acid | C6H7NO3

(1S,5S)-3-Oxo-2-azabicyclo[3.1.0]hexane-1-carboxylic acid

  • Molecular FormulaC6H7NO3
  • Average mass141.125 Da
  • Monoisotopic mass141.042587 Da
  • ChemSpider ID32995661
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,5S)-3-Oxo-2-azabicyclo[3.1.0]hexan-1-carbonsäure [German] [ACD/IUPAC Name]
(1S,5S)-3-Oxo-2-azabicyclo[3.1.0]hexane-1-carboxylic acid [ACD/IUPAC Name]
2-Azabicyclo[3.1.0]hexane-1-carboxylic acid, 3-oxo-, (1S,5S)- [ACD/Index Name]
Acide (1S,5S)-3-oxo-2-azabicyclo[3.1.0]hexane-1-carboxylique [French] [ACD/IUPAC Name]
145306-58-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 464.8±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.6±6.0 kJ/mol
Flash Point: 234.9±24.0 °C
Index of Refraction: 1.621
Molar Refractivity: 30.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.55
ACD/LogD (pH 5.5): -3.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 12.1±0.5 10-24cm3
Surface Tension: 81.0±3.0 dyne/cm
Molar Volume: 87.0±3.0 cm3

Click to predict properties on the Chemicalize site






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