ChemSpider 2D Image | Ethyl (1R,5R)-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate | C8H10O4

Ethyl (1R,5R)-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate

  • Molecular FormulaC8H10O4
  • Average mass170.163 Da
  • Monoisotopic mass170.057907 Da
  • ChemSpider ID113060663

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-2-Oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Oxabicyclo[3.1.0]hexane-1-carboxylic acid, 2-oxo-, ethyl ester, (1R,5R)- [ACD/Index Name]
Ethyl (1R,5R)-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate [ACD/IUPAC Name]
Ethyl-(1R,5R)-2-oxo-3-oxabicyclo[3.1.0]hexan-1-carboxylat [German] [ACD/IUPAC Name]
1084953-79-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 290.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.0±3.0 kJ/mol
Flash Point: 149.4±21.0 °C
Index of Refraction: 1.531
Molar Refractivity: 38.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.98
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.98
Polar Surface Area: 53 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 123.9±3.0 cm3

Click to predict properties on the Chemicalize site


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