ChemSpider 2D Image | (2E,4E)-2-Amino-6-oxo-2,4-hexadienoic acid | C6H7NO3

(2E,4E)-2-Amino-6-oxo-2,4-hexadienoic acid

  • Molecular FormulaC6H7NO3
  • Average mass141.125 Da
  • Monoisotopic mass141.042587 Da
  • ChemSpider ID21402972
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E,4E)-2-Amino-6-oxo-2,4-hexadienoic acid [ACD/IUPAC Name]
(2E,4E)-2-Amino-6-oxo-2,4-hexadiensäure [German] [ACD/IUPAC Name]
(2e,4e)-2-Amino-6-Oxohexa-2,4-Dienoic Acid
2,4-Hexadienoic acid, 2-amino-6-oxo-, (2E,4E)- [ACD/Index Name]
Acide (2E,4E)-2-amino-6-oxo-2,4-hexadiénoïque [French] [ACD/IUPAC Name]
2-acroleyl-3-aminofumarate
2-aminomuconic semialdehyde

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

Density: 1.3±0.1 g/cm3
Boiling Point: 339.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.0±6.0 kJ/mol
Flash Point: 158.8±26.5 °C
Index of Refraction: 1.550
Molar Refractivity: 35.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -2.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 110.2±3.0 cm3

Click to predict properties on the Chemicalize site






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