ChemSpider 2D Image | MFCD20264910 | C17H14D6O5S

MFCD20264910

  • Molecular FormulaC17H14D6O5S
  • Average mass342.440 Da
  • Monoisotopic mass342.140808 Da
  • ChemSpider ID49072401

  • Non-standard isotope - Non-standard isotope

More details:

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

1353853-37-8 [RN]
2(5H)-Furanone, 3-(cyclopropylmethoxy)-5,5-di(methyl-d3)-4-[4-(methylsulfonyl)phenyl]- [ACD/Index Name]
3-(Cyclopropylmethoxy)-5,5-bis[(2H3)methyl]-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanon [German] [ACD/IUPAC Name]
3-(Cyclopropylmethoxy)-5,5-bis[(2H3)methyl]-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone [ACD/IUPAC Name]
3-(Cyclopropylméthoxy)-5,5-bis[(2H3)méthyl]-4-[4-(méthylsulfonyl)phényl]-2(5H)-furanone [French] [ACD/IUPAC Name]
3-Cyclopropylmethoxy-4-(4-methanesulfonylphenyl)-5,5-dimethyl-d6-5H-furan-2-one
Firocoxib-(5,5-dimethyl-d6)
MFCD20264910

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

Density: 1.3±0.1 g/cm3
Boiling Point: 563.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.8±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 85.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.80
ACD/KOC (pH 5.5): 215.84
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.80
ACD/KOC (pH 7.4): 215.84
Polar Surface Area: 78 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 255.2±5.0 cm3

Click to predict properties on the Chemicalize site


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