ChemSpider 2D Image | (2E)-3-[3,4-Dihydroxy(2,5-~2~H_2_)phenyl](3-~2~H)-2-propenoic acid | C9H5D3O4

(2E)-3-[3,4-Dihydroxy(2,5-2H2)phenyl](3-2H)-2-propenoic acid

  • Molecular FormulaC9H5D3O4
  • Average mass183.176 Da
  • Monoisotopic mass183.061096 Da
  • ChemSpider ID17267327
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

(2E)-3-[3,4-Dihydroxy(2,5-2H2)phenyl](3-2H)-2-propenoic acid [ACD/IUPAC Name]
(2E)-3-[3,4-Dihydroxy(2,5-2H2)phenyl](3-2H)-2-propensäure [German] [ACD/IUPAC Name]
2-Propenoic-3-d acid, 3-(3,4-dihydroxyphenyl-2,5-d2)-, (2E)- [ACD/Index Name]
Acide (2E)-3-[3,4-dihydroxy(2,5-2H2)phényl](3-2H)-2-propénoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 416.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 220.0±22.4 °C
Index of Refraction: 1.707
Molar Refractivity: 47.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.27
ACD/LogD (pH 7.4): -1.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 77.8±3.0 dyne/cm
Molar Volume: 121.9±3.0 cm3

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