ChemSpider 2D Image | 3-Hydroxy-5-(hydroxymethyl)-2-(~2~H_3_)methylisonicotinic acid | C8H6D3NO4

3-Hydroxy-5-(hydroxymethyl)-2-(2H3)methylisonicotinic acid

  • Molecular FormulaC8H6D3NO4
  • Average mass186.180 Da
  • Monoisotopic mass186.071991 Da
  • ChemSpider ID48063236

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Hydroxy-5-(hydroxymethyl)-2-(2H3)methylisonicotinic acid [ACD/IUPAC Name]
3-Hydroxy-5-(hydroxymethyl)-2-(2H3)methylisonicotinsäure [German] [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 3-hydroxy-5-(hydroxymethyl)-2-(methyl-d3)- [ACD/Index Name]
Acide 3-hydroxy-5-(hydroxyméthyl)-2-(2H3)méthylisonicotinique [French] [ACD/IUPAC Name]
1435934-03-4 [RN]
3-hydroxy-5-(hydroxymethyl)-2-(trideuteriomethyl)pyridine-4-carboxylic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 584.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 307.3±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 44.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 79.8±3.0 dyne/cm
Molar Volume: 123.7±3.0 cm3

Click to predict properties on the Chemicalize site


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