ChemSpider 2D Image | 3-(4-Hydroxy-3-imino-6-oxo-1,4-cyclohexadien-1-yl)alanine | C9H10N2O4

3-(4-Hydroxy-3-imino-6-oxo-1,4-cyclohexadien-1-yl)alanine

  • Molecular FormulaC9H10N2O4
  • Average mass210.187 Da
  • Monoisotopic mass210.064056 Da
  • ChemSpider ID28571833

More details:






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

1,4-Cyclohexadiene-1-propanoic acid, α-amino-4-hydroxy-3-imino-6-oxo- [ACD/Index Name]
3-(4-Hydroxy-3-imino-6-oxo-1,4-cyclohexadien-1-yl)alanin [German] [ACD/IUPAC Name]
3-(4-Hydroxy-3-imino-6-oxo-1,4-cyclohexadien-1-yl)alanine [ACD/IUPAC Name]
3-(4-Hydroxy-3-imino-6-oxo-1,4-cyclohexadién-1-yl)alanine [French] [ACD/IUPAC Name]
920013-12-3 [RN]
L-TYROSINE, 5-IMINO-2-OXO-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 471.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.6±6.0 kJ/mol
Flash Point: 238.7±28.7 °C
Index of Refraction: 1.662
Molar Refractivity: 48.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -4.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 72.3±7.0 dyne/cm
Molar Volume: 131.7±7.0 cm3

Click to predict properties on the Chemicalize site






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