ChemSpider 2D Image | [(3S)-3-Hydroxy-4-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl]acetonitrile | C11H10N2O3

[(3S)-3-Hydroxy-4-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl]acetonitrile

  • Molecular FormulaC11H10N2O3
  • Average mass218.209 Da
  • Monoisotopic mass218.069138 Da
  • ChemSpider ID28519215
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

[(3S)-3-Hydroxy-4-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl]acetonitril [German] [ACD/IUPAC Name]
[(3S)-3-Hydroxy-4-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl]acetonitrile [ACD/IUPAC Name]
[(3S)-3-Hydroxy-4-méthoxy-2-oxo-2,3-dihydro-1H-indol-3-yl]acétonitrile [French] [ACD/IUPAC Name]
1H-Indole-3-acetonitrile, 2,3-dihydro-3-hydroxy-4-methoxy-2-oxo-, (3S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 537.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 279.1±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.68
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.67
Polar Surface Area: 82 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 161.4±3.0 cm3

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