Found 7 results

Search term: MF = 'C_{3}H_{3}NO_{3}S'
ChemSpider 2D Image | (Methylsulfonyl)(oxo)acetonitrile | C3H3NO3S

(Methylsulfonyl)(oxo)acetonitrile

  • Molecular FormulaC3H3NO3S
  • Average mass133.126 Da
  • Monoisotopic mass132.983368 Da
  • ChemSpider ID41233071

More details:

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

(Methylsulfonyl)(oxo)acetonitril [German] [ACD/IUPAC Name]
(Methylsulfonyl)(oxo)acetonitrile [ACD/IUPAC Name]
(Méthylsulfonyl)(oxo)acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-(methylsulfonyl)-2-oxo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 250.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.8±3.0 kJ/mol
Flash Point: 105.5±22.6 °C
Index of Refraction: 1.466
Molar Refractivity: 24.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.32
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.38
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.38
Polar Surface Area: 83 Å2
Polarizability: 9.8±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 89.6±3.0 cm3

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