ChemSpider 2D Image | 1-(3-Chloro-4-isobutoxy-5-methoxybenzoyl)-3-(methoxymethyl)-3-pyrrolidinecarboxylic acid | C19H26ClNO6

1-(3-Chloro-4-isobutoxy-5-methoxybenzoyl)-3-(methoxymethyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC19H26ClNO6
  • Average mass399.866 Da
  • Monoisotopic mass399.144867 Da
  • ChemSpider ID58050226

More details:

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

1-(3-Chlor-4-isobutoxy-5-methoxybenzoyl)-3-(methoxymethyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
1-(3-Chloro-4-isobutoxy-5-methoxybenzoyl)-3-(methoxymethyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]-3-(methoxymethyl)- [ACD/Index Name]
Acide 1-(3-chloro-4-isobutoxy-5-méthoxybenzoyl)-3-(méthoxyméthyl)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC 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: 569.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 298.1±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 2.93
ACD/KOC (pH 5.5): 26.08
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 321.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement