ChemSpider 2D Image | 3-[(3E)-3-(Ethylimino)-4-hydroxy-6-oxo-1,4-cyclohexadien-1-yl]-L-alanine | C11H14N2O4

3-[(3E)-3-(Ethylimino)-4-hydroxy-6-oxo-1,4-cyclohexadien-1-yl]-L-alanine

  • Molecular FormulaC11H14N2O4
  • Average mass238.240 Da
  • Monoisotopic mass238.095000 Da
  • ChemSpider ID25057761

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,4-Cyclohexadiene-1-propanoic acid, α-amino-3-(ethylimino)-4-hydroxy-6-oxo-, (αS,3E)- [ACD/Index Name]
3-[(3E)-3-(Ethylimino)-4-hydroxy-6-oxo-1,4-cyclohexadien-1-yl]-L-alanin [German] [ACD/IUPAC Name]
3-[(3E)-3-(Ethylimino)-4-hydroxy-6-oxo-1,4-cyclohexadien-1-yl]-L-alanine [ACD/IUPAC Name]
3-[(3E)-3-(Éthylimino)-4-hydroxy-6-oxo-1,4-cyclohexadién-1-yl]-L-alanine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.0 g/cm3
Boiling Point: 433.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 79.5±0.0 kJ/mol
Flash Point: 215.7±0.0 °C
Index of Refraction: 1.605
Molar Refractivity: 58.9±0.0 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 23.3±0.0 10-24cm3
Surface Tension: 55.3±0.0 dyne/cm
Molar Volume: 171.0±0.0 cm3

Click to predict properties on the Chemicalize site


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