ChemSpider 2D Image | 4-[(E)-2-(3,5-Dihydroxyphenyl)vinyl]-1,2-(~2~H_3_)benzenediol | C14H9D3O4

4-[(E)-2-(3,5-Dihydroxyphenyl)vinyl]-1,2-(2H3)benzenediol

  • Molecular FormulaC14H9D3O4
  • Average mass247.261 Da
  • Monoisotopic mass247.092392 Da
  • ChemSpider ID82824535

  • 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

1,2-Benzene-3,4,6-d3-diol, 5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]- [ACD/Index Name]
4-[(E)-2-(3,5-Dihydroxyphenyl)vinyl]-1,2-(2H3)benzenediol [ACD/IUPAC Name]
4-[(E)-2-(3,5-Dihydroxyphényl)vinyl]-1,2-(2H3)benzènediol [French] [ACD/IUPAC Name]
4-[(E)-2-(3,5-Dihydroxyphenyl)vinyl]-1,2-(2H3)benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 507.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 252.2±21.4 °C
Index of Refraction: 1.801
Molar Refractivity: 71.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.03
ACD/KOC (pH 5.5): 286.70
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.52
ACD/KOC (pH 7.4): 279.00
Polar Surface Area: 81 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 82.9±3.0 dyne/cm
Molar Volume: 166.4±3.0 cm3

Click to predict properties on the Chemicalize site


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