ChemSpider 2D Image | MFCD28053509 | C713C6H18O2

MFCD28053509

  • Molecular FormulaC713C6H18O2
  • Average mass212.237 Da
  • Monoisotopic mass212.150803 Da
  • ChemSpider ID48060866
  • Non-standard isotope - Non-standard isotope


More details:






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

[U-Ring-13C6]-Ibuprofen
1216459-54-9 [RN]
2-[4-Isobutyl(13C6)phenyl]propanoic acid [ACD/IUPAC Name]
2-[4-Isobutyl(13C6)phenyl]propansäure [German] [ACD/IUPAC Name]
Acide 2-[4-isobutyl(13C6)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzene-1,2,3,4,5,6-13C6-acetic acid, α-methyl-4-(2-methylpropyl)- [ACD/Index Name]
Ibuprofen-(ring-13C6)
MFCD28053509
2-[4-(2-Methylpropyl)(13C6)phenyl]propanoic acid
2-[4-(2-methylpropyl)phenyl]propanoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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/LogP:
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

Click to predict properties on the Chemicalize site






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