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ChemSpider 2D Image | (1Z)-1-Hexene-1,2,6-tricarboxylate | C9H9O6

(1Z)-1-Hexene-1,2,6-tricarboxylate

  • Molecular FormulaC9H9O6
  • Average mass213.166 Da
  • Monoisotopic mass213.041565 Da
  • ChemSpider ID28639107

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(1Z)-1-Hexen-1,2,6-tricarboxylat [German] [ACD/IUPAC Name]
(1Z)-1-Hexene-1,2,6-tricarboxylate [ACD/IUPAC Name]
(1Z)-1-Hexène-1,2,6-tricarboxylate [French] [ACD/IUPAC Name]
1-Hexene-1,2,6-tricarboxylic acid, ion(3-), (1Z)- [ACD/Index Name]
(1Z)-hex-1-ene-1,2,6-tricarboxylate
(Z)-1,2,6-hex-1-enetricarboxylate(3-)
(Z)-trihomoaconitate(3-)
cis-(homo)3aconitate
cis-(homo)3aconitate(3-)
cis-trihomoaconitate
More...
  • Miscellaneous

    • Chemical Class:

      A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of cis-trihomoaconitic acid; major species at pH 7.3. ChEBI CHEBI:72712

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

Density:
Boiling Point: 504.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 84.7±6.0 kJ/mol
Flash Point: 272.9±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -3.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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