ChemSpider 2D Image | 2-[(~2~H_3_)Methyloxy]isonicotinic acid | C7H4D3NO3

2-[(2H3)Methyloxy]isonicotinic acid

  • Molecular FormulaC7H4D3NO3
  • Average mass156.154 Da
  • Monoisotopic mass156.061417 Da
  • ChemSpider ID113567674
  • Non-standard isotope - Non-standard isotope


More details:






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

2-[(2H3)Methyloxy]isonicotinic acid [ACD/IUPAC Name]
2-[(2H3)Methyloxy]isonicotinsäure [German] [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 2-(methyl-d3-oxy)- [ACD/Index Name]
Acide 2-[(2H3)méthyloxy]isonicotinique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 383.0±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 185.4±22.3 °C
Index of Refraction: 1.550
Molar Refractivity: 38.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.04
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 59 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 119.2±3.0 cm3

Click to predict properties on the Chemicalize site






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