ChemSpider 2D Image | 4-Hydroxy-3-[(~2~H_3_)methyloxy]benzoic acid | C8H5D3O4

4-Hydroxy-3-[(2H3)methyloxy]benzoic acid

  • Molecular FormulaC8H5D3O4
  • Average mass171.165 Da
  • Monoisotopic mass171.061096 Da
  • ChemSpider ID30773516

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Hydroxy-3-[(2H3)methyloxy]benzoesäure [German] [ACD/IUPAC Name]
4-Hydroxy-3-[(2H3)methyloxy]benzoic acid [ACD/IUPAC Name]
Acide 4-hydroxy-3-[(2H3)méthyloxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-3-(methyl-d3-oxy)- [ACD/Index Name]
4-Hydroxy-3-methoxy-d3-benzoic Acid
Vanillic acid [Wiki]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 353.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 149.4±17.2 °C
Index of Refraction: 1.586
Molar Refractivity: 41.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.28
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 124.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement