ChemSpider 2D Image | Coutaric acid | C13H12O8

Coutaric acid

  • Molecular FormulaC13H12O8
  • Average mass296.230 Da
  • Monoisotopic mass296.053223 Da
  • ChemSpider ID26325199
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R,3R)-2-Hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}bernsteinsäure [German] [ACD/IUPAC Name]
(2R,3R)-2-Hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}succinic acid [ACD/IUPAC Name]
Acide (2R,3R)-2-hydroxy-3-{[(2E)-3-(4-hydroxyphényl)-2-propenoyl]oxy}succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-hydroxy-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (2R,3R)- [ACD/Index Name]
Coutaric acid [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 561.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 215.2±23.6 °C
Index of Refraction: 1.664
Molar Refractivity: 68.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): -3.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 84.9±3.0 dyne/cm
Molar Volume: 185.9±3.0 cm3

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