ChemSpider 2D Image | (2Z,4E)-2-Ammonio-2,4-hexadienedioate | C6H6NO4

(2Z,4E)-2-Ammonio-2,4-hexadienedioate

  • Molecular FormulaC6H6NO4
  • Average mass156.117 Da
  • Monoisotopic mass156.030228 Da
  • ChemSpider ID31150412

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(2Z,4E)-2-Ammonio-2,4-hexadiendioat [German] [ACD/IUPAC Name]
(2Z,4E)-2-Ammonio-2,4-hexadienedioate [ACD/IUPAC Name]
(2Z,4E)-2-Ammonio-2,4-hexadiènedioate [French] [ACD/IUPAC Name]
2,4-Hexadienedioic acid, 2-amino-, inner salt, ion(1-), (2Z,4E)- [ACD/Index Name]
(2Z,4E)-2-aminomuconate
(2Z,4E)-2-ammoniohexa-2,4-dienedioate
(2Z,4E)-2-ammoniomuconate(1-)
(2Z,4E)-2-azaniumylhexa-2,4-dienedioate
2-Aminomuconate
2-ammoniomuconate(1-)
  • Miscellaneous

    • Chemical Class:

      A dicarboxylic acid monoanion that is the conjugate base of 2-aminomuconic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77859

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

Density:
Boiling Point: 368.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.6±6.0 kJ/mol
Flash Point: 176.6±25.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -4.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement