ChemSpider 2D Image | Methyl (5-methoxy-2-methyl-1H-indol-3-yl)(oxo)acetate | C13H13NO4

Methyl (5-methoxy-2-methyl-1H-indol-3-yl)(oxo)acetate

  • Molecular FormulaC13H13NO4
  • Average mass247.247 Da
  • Monoisotopic mass247.084457 Da
  • ChemSpider ID25412745

More details:






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

(5-Méthoxy-2-méthyl-1H-indol-3-yl)(oxo)acétate de méthyle [French] [ACD/IUPAC Name]
1H-Indole-3-acetic acid, 5-methoxy-2-methyl-α-oxo-, methyl ester [ACD/Index Name]
Methyl (5-methoxy-2-methyl-1H-indol-3-yl)(oxo)acetate [ACD/IUPAC Name]
Methyl-(5-methoxy-2-methyl-1H-indol-3-yl)(oxo)acetat [German] [ACD/IUPAC Name]
19414-86-9 [RN]
methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 435.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 217.0±28.7 °C
Index of Refraction: 1.602
Molar Refractivity: 66.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.49
ACD/KOC (pH 5.5): 500.91
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.49
ACD/KOC (pH 7.4): 500.91
Polar Surface Area: 68 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 193.7±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement