PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


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

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






Advertisement