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

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

  • Molecular FormulaC12H17NO3
  • Average mass223.268 Da
  • Monoisotopic mass223.120850 Da
  • ChemSpider ID57642221

  • 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-oxirancarboximidsäure [German] [ACD/IUPAC Name]
(2S,3S)-3-[(4E,7E)-4,7-Nonadienoyl]-2-oxiranecarboximidic acid [ACD/IUPAC Name]
2-Oxiranecarboximidic acid, 3-[(4E,7E)-1-oxo-4,7-nonadien-1-yl]-, (2S,3S)- [ACD/Index Name]
Acide (2S,3S)-3-[(4E,7E)-4,7-nonadienoyl]-2-oxiranecarboximidique [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 401.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.4±6.0 kJ/mol
Flash Point: 196.4±31.5 °C
Index of Refraction: 1.531
Molar Refractivity: 60.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -1.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 74 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 194.3±7.0 cm3

Click to predict properties on the Chemicalize site


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