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Search term: XQYMSCAMMFMULA-ONEGZZNKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl N-methyl-N-[(2E)-3-(3-thienyl)-2-propenoyl]glycinate | C11H13NO3S

Methyl N-methyl-N-[(2E)-3-(3-thienyl)-2-propenoyl]glycinate

  • Molecular FormulaC11H13NO3S
  • Average mass239.291 Da
  • Monoisotopic mass239.061615 Da
  • ChemSpider ID30573503

  • Double-bond stereo - Double-bond stereo

More details:

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

Glycine, N-methyl-N-[(2E)-1-oxo-3-(3-thienyl)-2-propen-1-yl]-, methyl ester [ACD/Index Name]
Methyl N-methyl-N-[(2E)-3-(3-thienyl)-2-propenoyl]glycinate [ACD/IUPAC Name]
Methyl-N-methyl-N-[(2E)-3-(3-thienyl)-2-propenoyl]glycinat [German] [ACD/IUPAC Name]
N-Méthyl-N-[(2E)-3-(3-thiényl)-2-propenoyl]glycinate de méthyle [French] [ACD/IUPAC Name]
METHYL 2-[(2E)-N-METHYL-3-(THIOPHEN-3-YL)PROP-2-ENAMIDO]ACETATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 417.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 206.2±25.9 °C
Index of Refraction: 1.581
Molar Refractivity: 64.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 2.86
ACD/KOC (pH 5.5): 73.87
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.86
ACD/KOC (pH 7.4): 73.87
Polar Surface Area: 75 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 193.8±3.0 cm3

Click to predict properties on the Chemicalize site


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