ChemSpider 2D Image | 5-((tert-Butoxycarbonyl)amino)isoxazole-3-carboxylic acid | C9H12N2O5

5-((tert-Butoxycarbonyl)amino)isoxazole-3-carboxylic acid

  • Molecular FormulaC9H12N2O5
  • Average mass228.202 Da
  • Monoisotopic mass228.074615 Da
  • ChemSpider ID30648140

More details:

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

1258503-55-7 [RN]
3-Isoxazolecarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]- [ACD/Index Name]
5-((tert-Butoxycarbonyl)amino)isoxazole-3-carboxylic acid
5-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]
5-[[(1,1-dimethylethoxy)carbonyl]amino]-3-isoxazolecarboxylicacid
5-{[(tert-butoxy)carbonyl]amino}-1,2-oxazole-3-carboxylic acid
MFCD27923414

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

Density: 1.4±0.1 g/cm3
Boiling Point: 354.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 168.1±23.7 °C
Index of Refraction: 1.553
Molar Refractivity: 53.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.20
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 167.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement