ChemSpider 2D Image | 3-Carboxy-2,3-dideoxy-4-C-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]pentaric acid | C15H14O9

3-Carboxy-2,3-dideoxy-4-C-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]pentaric acid

  • Molecular FormulaC15H14O9
  • Average mass338.266 Da
  • Monoisotopic mass338.063782 Da
  • ChemSpider ID67492264

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Carboxy-2,3-dideoxy-4-C-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]pentaric acid [ACD/IUPAC Name]
3-Carboxy-2,3-didesoxy-4-C-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]pentarsäure [German] [ACD/IUPAC Name]
Acide 3-carboxy-2,3-didésoxy-4-C-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]pentarique [French] [ACD/IUPAC Name]
Pentaric acid, 3-carboxy-2,3-dideoxy-4-C-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index 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: 528.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 287.7±26.6 °C
Index of Refraction: 1.678
Molar Refractivity: 78.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.64
ACD/LogD (pH 5.5): -4.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 93.8±3.0 dyne/cm
Molar Volume: 206.8±3.0 cm3

Click to predict properties on the Chemicalize site


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