ChemSpider 2D Image | 1-Methoxy-1-oxo-2-propanyl 4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]benzoate | C18H25NO7S

1-Methoxy-1-oxo-2-propanyl 4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]benzoate

  • Molecular FormulaC18H25NO7S
  • Average mass399.459 Da
  • Monoisotopic mass399.135162 Da
  • ChemSpider ID21940390

More details:

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

1-Methoxy-1-oxo-2-propanyl 4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]benzoate [ACD/IUPAC Name]
1-Methoxy-1-oxo-2-propanyl-4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]benzoat [German] [ACD/IUPAC Name]
4-Méthoxy-3-[(2-méthyl-1-pipéridinyl)sulfonyl]benzoate de 1-méthoxy-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]-, 2-methoxy-1-methyl-2-oxoethyl ester [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: 548.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.3±32.9 °C
Index of Refraction: 1.527
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.91
ACD/KOC (pH 5.5): 953.00
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.91
ACD/KOC (pH 7.4): 953.00
Polar Surface Area: 108 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 320.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement