ChemSpider 2D Image | 1-{2,4-Dihydroxy-6-[(~2~H_3_)methyloxy]phenyl}ethanone | C9H7D3O4

1-{2,4-Dihydroxy-6-[(2H3)methyloxy]phenyl}ethanone

  • Molecular FormulaC9H7D3O4
  • Average mass185.192 Da
  • Monoisotopic mass185.076736 Da
  • ChemSpider ID58794227

  • Non-standard isotope - Non-standard isotope

More details:

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

1-{2,4-Dihydroxy-6-[(2H3)methyloxy]phenyl}ethanon [German] [ACD/IUPAC Name]
1-{2,4-Dihydroxy-6-[(2H3)methyloxy]phenyl}ethanone [ACD/IUPAC Name]
1-{2,4-Dihydroxy-6-[(2H3)méthyloxy]phényl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2,4-dihydroxy-6-(methyl-d3-oxy)phenyl]- [ACD/Index 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: 333.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.9±3.0 kJ/mol
Flash Point: 135.5±15.8 °C
Index of Refraction: 1.573
Molar Refractivity: 46.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.41
ACD/KOC (pH 5.5): 245.93
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 9.48
ACD/KOC (pH 7.4): 151.31
Polar Surface Area: 67 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 141.8±3.0 cm3

Click to predict properties on the Chemicalize site


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