ChemSpider 2D Image | (1S,6R)-7-Oxa-3-azabicyclo[4.1.0]heptane-6-carboxylic acid | C6H9NO3

(1S,6R)-7-Oxa-3-azabicyclo[4.1.0]heptane-6-carboxylic acid

  • Molecular FormulaC6H9NO3
  • Average mass143.141 Da
  • Monoisotopic mass143.058243 Da
  • ChemSpider ID32993077

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,6R)-7-Oxa-3-azabicyclo[4.1.0]heptan-6-carbonsäure [German] [ACD/IUPAC Name]
(1S,6R)-7-Oxa-3-azabicyclo[4.1.0]heptane-6-carboxylic acid [ACD/IUPAC Name]
7-Oxa-3-azabicyclo[4.1.0]heptane-6-carboxylic acid, (1S,6R)- [ACD/Index Name]
Acide (1S,6R)-7-oxa-3-azabicyclo[4.1.0]heptane-6-carboxylique [French] [ACD/IUPAC Name]
171365-70-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 313.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 60.9±6.0 kJ/mol
Flash Point: 143.2±27.9 °C
Index of Refraction: 1.559
Molar Refractivity: 32.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -3.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 62 Å2
Polarizability: 12.7±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 99.3±3.0 cm3

Click to predict properties on the Chemicalize site


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