ChemSpider 2D Image | 5-[(Isopropylsulfonyl)carbonyl]-1,2-oxazole-3-carboxylic acid | C8H9NO6S

5-[(Isopropylsulfonyl)carbonyl]-1,2-oxazole-3-carboxylic acid

  • Molecular FormulaC8H9NO6S
  • Average mass247.225 Da
  • Monoisotopic mass247.015060 Da
  • ChemSpider ID62119351

More details:

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

3-Isoxazolecarboxylic acid, 5-[[(1-methylethyl)sulfonyl]carbonyl]- [ACD/Index Name]
5-[(Isopropylsulfonyl)carbonyl]-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-[(Isopropylsulfonyl)carbonyl]-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-[(isopropylsulfonyl)carbonyl]-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]
1895601-25-8 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 508.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 261.3±32.9 °C
Index of Refraction: 1.531
Molar Refractivity: 50.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -2.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 163.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement