ChemSpider 2D Image | 2-Methyl-2-propanyl 5-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-1H-indole-1-carboxylate | C17H19NO4

2-Methyl-2-propanyl 5-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-1H-indole-1-carboxylate

  • Molecular FormulaC17H19NO4
  • Average mass301.337 Da
  • Monoisotopic mass301.131409 Da
  • ChemSpider ID24749095
  • Double-bond stereo - Double-bond stereo


More details:






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

1H-Indole-1-carboxylic acid, 5-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
5-[(1E)-3-Méthoxy-3-oxo-1-propén-1-yl]-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(E)-tert-butyl 5-(3-methoxy-3-oxoprop-1-enyl)-1H-indole-1-carboxylate
[561307-71-9]
1-Boc-5-(3-methoxy-3-oxo-1-propenyl)-1H-indole
1H-Indazole-5-thiol [ACD/Index Name] [ACD/IUPAC Name]
1H-Indole-1-carboxylic acid, 5-(3-methoxy-3-oxo-1-propenyl)-, 1,1-dimethylethyl ester
561307-71-9 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 435.5±37.0 °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: 217.2±26.5 °C
Index of Refraction: 1.536
Molar Refractivity: 84.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 191.96
ACD/KOC (pH 5.5): 1499.45
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 191.96
ACD/KOC (pH 7.4): 1499.45
Polar Surface Area: 58 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 38.1±7.0 dyne/cm
Molar Volume: 269.5±7.0 cm3

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