ChemSpider 2D Image | 2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-(3-thienyl)propanoate | C12H16NO4S

2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-(3-thienyl)propanoate

  • Molecular FormulaC12H16NO4S
  • Average mass270.325 Da
  • Monoisotopic mass270.080566 Da
  • ChemSpider ID95662841

  • Charge - Charge

More details:

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

2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-(3-thienyl)propanoat [German] [ACD/IUPAC Name]
2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-(3-thienyl)propanoate [ACD/IUPAC Name]
2-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-3-(3-thiényl)propanoate [French] [ACD/IUPAC Name]
3-Thiophenepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 434.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 216.7±27.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.13
ACD/LogD (pH 7.4): -1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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