ChemSpider 2D Image | (1E,3E)-4-Hydroxy-1,3-butadiene-1,2,4-tricarboxylate | C7H3O7

(1E,3E)-4-Hydroxy-1,3-butadiene-1,2,4-tricarboxylate

  • Molecular FormulaC7H3O7
  • Average mass199.096 Da
  • Monoisotopic mass198.989517 Da
  • ChemSpider ID26331048

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(1E,3E)-4-Hydroxy-1,3-butadien-1,2,4-tricarboxylat [German] [ACD/IUPAC Name]
(1E,3E)-4-Hydroxy-1,3-butadiene-1,2,4-tricarboxylate [ACD/IUPAC Name]
(1E,3E)-4-Hydroxy-1,3-butadiène-1,2,4-tricarboxylate [French] [ACD/IUPAC Name]
1,3-Butadiene-1,2,4-tricarboxylic acid, 4-hydroxy-, ion(3-), (1E,3E)- [ACD/Index Name]
(1E,3E)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylate
4-carboxy-2-hydroxy-cis,cis-muconate
4-carboxy-2-hydroxy-cis,cis-muconate trianion
4-carboxy-2-hydroxy-cis,cis-muconate(3-)
4-Carboxy-2-hydroxyhexa-2,4-cis,cis-dienedioate
  • Miscellaneous

    • Chemical Class:

      A tricarboxylic acid trianion resulting from deprotonation of the three carboxy groups of 4-carboxy-2-hydroxy-cis,cis-muconic acid; major species at pH 7.3. ChEBI CHEBI:58142

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

Density:
Boiling Point: 411.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±6.0 kJ/mol
Flash Point: 216.9±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -6.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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