ChemSpider 2D Image | 2-{[4-Hydroxy-2-methyl-3-(~2~H_3_)methylphenyl]amino}benzoic acid | C15H12D3NO3

2-{[4-Hydroxy-2-methyl-3-(2H3)methylphenyl]amino}benzoic acid

  • Molecular FormulaC15H12D3NO3
  • Average mass260.303 Da
  • Monoisotopic mass260.124023 Da
  • ChemSpider ID107439015

  • Non-standard isotope - Non-standard isotope

More details:

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

2-{[4-Hydroxy-2-methyl-3-(2H3)methylphenyl]amino}benzoesäure [German] [ACD/IUPAC Name]
2-{[4-Hydroxy-2-methyl-3-(2H3)methylphenyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 2-{[4-hydroxy-2-méthyl-3-(2H3)méthylphényl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[4-hydroxy-2-methyl-3-(methyl-d3)phenyl]amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 421.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 209.0±28.7 °C
Index of Refraction: 1.667
Molar Refractivity: 74.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 56.63
ACD/KOC (pH 5.5): 224.95
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 8.66
Polar Surface Area: 70 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 199.0±3.0 cm3

Click to predict properties on the Chemicalize site


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