ChemSpider 2D Image | (2S)-2-(4-Isobutylphenyl)(3,3,3-~2~H_3_)propanoic acid | C13H15D3O2

(2S)-2-(4-Isobutylphenyl)(3,3,3-2H3)propanoic acid

  • Molecular FormulaC13H15D3O2
  • Average mass209.299 Da
  • Monoisotopic mass209.149506 Da
  • ChemSpider ID48060957
  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(2S)-2-(4-Isobutylphenyl)(3,3,3-2H3)propanoic acid [ACD/IUPAC Name]
(2S)-2-(4-Isobutylphenyl)(3,3,3-2H3)propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-(4-isobutylphényl)(3,3,3-2H3)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(methyl-d3)-4-(2-methylpropyl)-, (αS)- [ACD/Index Name]
(2S)-3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoic acid
(S)-(+)-Ibuprofen D3
(s)-(+)-ibuprofen-d3
(S)-Ibuprofen D3
1329643-44-8 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 319.6±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.3±3.0 kJ/mol
Flash Point: 216.7±14.4 °C
Index of Refraction: 1.519
Molar Refractivity: 60.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 16.17
ACD/KOC (pH 5.5): 122.42
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.95
Polar Surface Area: 37 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 200.3±3.0 cm3

Click to predict properties on the Chemicalize site






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