ChemSpider 2D Image | (2R,3Z,5R)-3-Ethylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate | C8H8NO4

(2R,3Z,5R)-3-Ethylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate

  • Molecular FormulaC8H8NO4
  • Average mass182.154 Da
  • Monoisotopic mass182.045883 Da
  • ChemSpider ID34895963

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3Z,5R)-3-Ethyliden-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-2-carboxylat [German] [ACD/IUPAC Name]
(2R,3Z,5R)-3-Ethylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate [ACD/IUPAC Name]
(2R,3Z,5R)-3-Éthylidène-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate [French] [ACD/IUPAC Name]
4-Oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-ethylidene-7-oxo-, ion(1-), (2R,3Z,5R)- [ACD/Index Name]

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

Density:
Boiling Point: 442.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±6.0 kJ/mol
Flash Point: 221.3±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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