ChemSpider 2D Image | (2S,3S)-3-[(4E,7E)-4,7-Nonadienoyl]-2-oxiranecarboxamide | C12H17NO3

(2S,3S)-3-[(4E,7E)-4,7-Nonadienoyl]-2-oxiranecarboxamide

  • Molecular FormulaC12H17NO3
  • Average mass223.268 Da
  • Monoisotopic mass223.120850 Da
  • ChemSpider ID58122342

  • 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

(2S,3S)-3-[(4E,7E)-4,7-Nonadienoyl]-2-oxirancarboxamid [German] [ACD/IUPAC Name]
(2S,3S)-3-[(4E,7E)-4,7-Nonadienoyl]-2-oxiranecarboxamide [ACD/IUPAC Name]
(2S,3S)-3-[(4E,7E)-4,7-Nonadienoyl]-2-oxiranecarboxamide [French] [ACD/IUPAC Name]
2-Oxiranecarboxamide, 3-[(4E,7E)-1-oxo-4,7-nonadien-1-yl]-, (2S,3S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3348869/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 456.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 241.1±25.0 °C
Index of Refraction: 1.529
Molar Refractivity: 60.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 43.92
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 43.93
Polar Surface Area: 73 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 196.7±3.0 cm3

Click to predict properties on the Chemicalize site


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