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Search term: VQSMZXJOUDXGKP-CMDGGOBGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(3E)-4-(Methylsulfonyl)-1-phenyl-3-buten-2-yl]acetamide | C13H17NO3S

N-[(3E)-4-(Methylsulfonyl)-1-phenyl-3-buten-2-yl]acetamide

  • Molecular FormulaC13H17NO3S
  • Average mass267.344 Da
  • Monoisotopic mass267.092926 Da
  • ChemSpider ID23112323

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetamide, N-[(2E)-3-(methylsulfonyl)-1-(phenylmethyl)-2-propen-1-yl]- [ACD/Index Name]
N-[(3E)-4-(Methylsulfonyl)-1-phenyl-3-buten-2-yl]acetamid [German] [ACD/IUPAC Name]
N-[(3E)-4-(Methylsulfonyl)-1-phenyl-3-buten-2-yl]acetamide [ACD/IUPAC Name]
N-[(3E)-4-(Méthylsulfonyl)-1-phényl-3-butén-2-yl]acétamide [French] [ACD/IUPAC Name]
N-(1-Benzyl-3-methanesulfonyl-allyl)-acetamide
N-[(3E)-4-(methylsulfonyl)-1-phenylbut-3-en-2-yl]acetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 559.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.1±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 71.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.80
ACD/KOC (pH 5.5): 90.43
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.80
ACD/KOC (pH 7.4): 90.43
Polar Surface Area: 72 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 225.7±3.0 cm3

Click to predict properties on the Chemicalize site


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