ChemSpider 2D Image | (5S,6R)-5,6-Dihydroxy-1,3-cyclohexadiene-1-carboxylic acid | C7H8O4

(5S,6R)-5,6-Dihydroxy-1,3-cyclohexadiene-1-carboxylic acid

  • Molecular FormulaC7H8O4
  • Average mass156.136 Da
  • Monoisotopic mass156.042252 Da
  • ChemSpider ID26599242

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,6R)-5,6-Dihydroxy-1,3-cyclohexadien-1-carbonsäure [German] [ACD/IUPAC Name]
(5S,6R)-5,6-Dihydroxy-1,3-cyclohexadiene-1-carboxylic acid [ACD/IUPAC Name]
1,3-Cyclohexadiene-1-carboxylic acid, 5,6-dihydroxy-, (5S,6R)- [ACD/Index Name]
Acide (5S,6R)-5,6-dihydroxy-1,3-cyclohexadiène-1-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 397.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.9±6.0 kJ/mol
Flash Point: 208.5±24.4 °C
Index of Refraction: 1.666
Molar Refractivity: 36.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 95.9±3.0 dyne/cm
Molar Volume: 97.3±3.0 cm3

Click to predict properties on the Chemicalize site


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