ChemSpider 2D Image | MFCD19705000 | C1213CH15D3O2


  • Molecular FormulaC1213CH15D3O2
  • Average mass210.292 Da
  • Monoisotopic mass210.152863 Da
  • ChemSpider ID49073446
  • Non-standard isotope - Non-standard isotope

More details:

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

1261394-40-4 [RN]
2-(4-Isobutylphenyl)(3-13C,3,3,3-2H3)propanoic acid [ACD/IUPAC Name]
2-(4-Isobutylphenyl)(3-13C,3,3,3-2H3)propansäure [German] [ACD/IUPAC Name]
Acide 2-(4-isobutylphényl)(3-13C,3,3,3-2H3)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(methyl-13C-d3)-4-(2-methylpropyl)- [ACD/Index Name]
α-Methyl-13C,d3-4-(isobutyl)phenylacetic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.519
Molar Refractivity: 60.8±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 200.3±3.0 cm3

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