ChemSpider 2D Image | 5-[(1E)-3-Hydroxy-1-propen-1-yl]-3-[(~2~H_3_)methyloxy]-1,2-benzenediol | C10H9D3O4

5-[(1E)-3-Hydroxy-1-propen-1-yl]-3-[(2H3)methyloxy]-1,2-benzenediol

  • Molecular FormulaC10H9D3O4
  • Average mass199.218 Da
  • Monoisotopic mass199.092392 Da
  • ChemSpider ID17267324

  • 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-Benzenediol, 5-[(1E)-3-hydroxy-1-propen-1-yl]-3-(methyl-d3-oxy)- [ACD/Index Name]
5-[(1E)-3-Hydroxy-1-propen-1-yl]-3-[(2H3)methyloxy]-1,2-benzenediol [ACD/IUPAC Name]
5-[(1E)-3-Hydroxy-1-propén-1-yl]-3-[(2H3)méthyloxy]-1,2-benzènediol [French] [ACD/IUPAC Name]
5-[(1E)-3-Hydroxy-1-propen-1-yl]-3-[(2H3)methyloxy]-1,2-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 427.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 212.4±28.7 °C
Index of Refraction: 1.648
Molar Refractivity: 54.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 44.82
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 43.97
Polar Surface Area: 70 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 148.8±3.0 cm3

Click to predict properties on the Chemicalize site


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