ChemSpider 2D Image | 3,5-Dimethoxy-4-[(~2~H_3_)methyloxy]benzoic acid | C10H9D3O5

3,5-Dimethoxy-4-[(2H3)methyloxy]benzoic acid

  • Molecular FormulaC10H9D3O5
  • Average mass215.218 Da
  • Monoisotopic mass215.087311 Da
  • ChemSpider ID34559523
  • Non-standard isotope - Non-standard isotope


More details:






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

3,5-Dimethoxy-4-[(2H3)methyloxy]benzoesäure [German] [ACD/IUPAC Name]
3,5-Dimethoxy-4-[(2H3)methyloxy]benzoic acid [ACD/IUPAC Name]
Acide 3,5-diméthoxy-4-[(2H3)méthyloxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-dimethoxy-4-(methyl-d3-oxy)- [ACD/Index Name]
3,5-Dimethoxy-4-methoxy-d3-benzoic acid
3,5-Dimethoxy-4-methoxy-d3-benzoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 376.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 128.8±20.0 °C
Index of Refraction: 1.524
Molar Refractivity: 53.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.90
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 65 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 174.0±3.0 cm3

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