ChemSpider 2D Image | Ethyl (5-hydroxy-1H-indol-3-yl)(oxo)acetate | C12H11NO4

Ethyl (5-hydroxy-1H-indol-3-yl)(oxo)acetate

  • Molecular FormulaC12H11NO4
  • Average mass233.220 Da
  • Monoisotopic mass233.068802 Da
  • ChemSpider ID44210731

More details:

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

(5-Hydroxy-1H-indol-3-yl)(oxo)acétate d'éthyle [French] [ACD/IUPAC Name]
1H-Indole-3-acetic acid, 5-hydroxy-α-oxo-, ethyl ester [ACD/Index Name]
Ethyl (5-hydroxy-1H-indol-3-yl)(oxo)acetate [ACD/IUPAC Name]
Ethyl-(5-hydroxy-1H-indol-3-yl)(oxo)acetat [German] [ACD/IUPAC Name]
5-hydroxy-1h-indole-3-glyoxylate ethyl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 457.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 230.5±23.2 °C
Index of Refraction: 1.651
Molar Refractivity: 61.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.87
ACD/KOC (pH 5.5): 123.59
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.79
ACD/KOC (pH 7.4): 121.77
Polar Surface Area: 79 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 168.3±3.0 cm3

Click to predict properties on the Chemicalize site


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