ChemSpider 2D Image | 5-Methoxy-2-[(~2~H_3_)methyloxy]benzoic acid | C9H7D3O4

5-Methoxy-2-[(2H3)methyloxy]benzoic acid

  • Molecular FormulaC9H7D3O4
  • Average mass185.192 Da
  • Monoisotopic mass185.076736 Da
  • ChemSpider ID128933741

  • Non-standard isotope - Non-standard isotope

More details:

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

5-Methoxy-2-[(2H3)methyloxy]benzoesäure [German] [ACD/IUPAC Name]
5-Methoxy-2-[(2H3)methyloxy]benzoic acid [ACD/IUPAC Name]
Acide 5-méthoxy-2-[(2H3)méthyloxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-methoxy-2-(methyl-d3-oxy)- [ACD/Index Name]
2-(2H3)methoxy-5-methoxybenzoic acid
2913278-36-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 329.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 133.6±15.8 °C
Index of Refraction: 1.533
Molar Refractivity: 46.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.70
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 56 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 150.0±3.0 cm3

Click to predict properties on the Chemicalize site


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