ChemSpider 2D Image | 4-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-oxo-3-pyrrolidinecarboxylic acid | C14H15NO7

4-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-oxo-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC14H15NO7
  • Average mass309.271 Da
  • Monoisotopic mass309.084839 Da
  • ChemSpider ID28636657

More details:






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

3-Pyrrolidinecarboxylic acid, 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-2-oxo- [ACD/Index Name]
4-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-oxo-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
4-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-oxo-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
Acide 4-(4,7-diméthoxy-1,3-benzodioxol-5-yl)-2-oxo-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-2-oxopyrrolidine-3-carboxylic acid
4-(4,7-Dimethoxy-benzo[1,3]dioxol-5-yl)-2-oxo-pyrrolidine-3-carboxylic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 566.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 296.5±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 72.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.38
ACD/LogD (pH 7.4): -2.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 216.9±3.0 cm3

Click to predict properties on the Chemicalize site






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