ChemSpider 2D Image | (1S)-1-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-vinylcyclopropanecarboxylic acid | C11H17NO4

(1S)-1-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-vinylcyclopropanecarboxylic acid

  • Molecular FormulaC11H17NO4
  • Average mass227.257 Da
  • Monoisotopic mass227.115753 Da
  • ChemSpider ID113612314

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-1-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-vinylcyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1S)-1-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-vinylcyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide (1S)-1-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-2-vinylcyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 361.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 66.7±6.0 kJ/mol
Flash Point: 172.1±27.9 °C
Index of Refraction: 1.508
Molar Refractivity: 57.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.72
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 194.1±5.0 cm3

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