ChemSpider 2D Image | 4-[4-(Methylsulfonyl)phenyl]-3-(~13~C_6_)phenyl-2(5H)-(3-~13~C)furanone | C1013C7H14O4S

4-[4-(Methylsulfonyl)phenyl]-3-(13C6)phenyl-2(5H)-(3-13C)furanone

  • Molecular FormulaC1013C7H14O4S
  • Average mass321.304 Da
  • Monoisotopic mass321.084778 Da
  • ChemSpider ID4932125

  • Non-standard isotope - Non-standard isotope

More details:

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

2(5H)-Furanone-3-13C, 4-[4-(methylsulfonyl)phenyl]-3-(phenyl-13C6)- [ACD/Index Name]
4-[4-(Methylsulfonyl)phenyl]-3-(13C6)phenyl-2(5H)-(3-13C)furanon [German] [ACD/IUPAC Name]
4-[4-(Methylsulfonyl)phenyl]-3-(13C6)phenyl-2(5H)-(3-13C)furanone [ACD/IUPAC Name]
4-[4-(Méthylsulfonyl)phényl]-3-(13C6)phényl-2(5H)-(3-13C)furanone [French] [ACD/IUPAC Name]
Rofecoxib-13C7

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 82.7±0.4 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: 32.8±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 235.7±3.0 cm3

Click to predict properties on the Chemicalize site


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