ChemSpider 2D Image | 4-Hydroxy-2,5-dimethyl-3-furanolate | C6H7O3

4-Hydroxy-2,5-dimethyl-3-furanolate

  • Molecular FormulaC6H7O3
  • Average mass127.118 Da
  • Monoisotopic mass127.040070 Da
  • ChemSpider ID30785819

  • Charge - Charge

More details:

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

3,4-Furandiol, 2,5-dimethyl-, ion(1-) [ACD/Index Name]
4-Hydroxy-2,5-dimethyl-3-furanolat [German] [ACD/IUPAC Name]
4-Hydroxy-2,5-dimethyl-3-furanolate [ACD/IUPAC Name]
4-Hydroxy-2,5-diméthyl-3-furanolate [French] [ACD/IUPAC Name]
4-hydroxy-2,5-dimethylfuran-3(2H)-olate
4-hydroxy-2,5-dimethyl-furan-3(2H)-one
4-hydroxy-2,5-dimethylfuran-3-olate
  • Miscellaneous

    • Chemical Class:

      An organic anion that is the conjugate base of 4-hydroxy-2,5-dimethyl-3-furanone, obtained by deprotonation of the hydroxy group with concomitant keto/enol-type tautomerisation. It is thought to be a major microspecies at pH 7.3. ChEBI CHEBI:76248

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

Density:
Boiling Point: 215.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 47.0±3.0 kJ/mol
Flash Point: 84.2±25.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.51
ACD/KOC (pH 5.5): 67.33
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.49
ACD/KOC (pH 7.4): 66.62
Polar Surface Area: 56 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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