ChemSpider 2D Image | (3,4-Dihydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile | C10H8N2O3

(3,4-Dihydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile

  • Molecular FormulaC10H8N2O3
  • Average mass204.182 Da
  • Monoisotopic mass204.053497 Da
  • ChemSpider ID28288233

More details:



Featured data source



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

(3,4-Dihydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitril [German] [ACD/IUPAC Name]
(3,4-Dihydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile [ACD/IUPAC Name]
(3,4-Dihydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acétonitrile [French] [ACD/IUPAC Name]
1H-Indole-3-acetonitrile, 2,3-dihydro-3,4-dihydroxy-2-oxo- [ACD/Index Name]
1343430-49-8 [RN]
2090016-61-6 [RN]
MFCD24648242

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

Density: 1.5±0.1 g/cm3
Boiling Point: 565.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 295.6±30.1 °C
Index of Refraction: 1.656
Molar Refractivity: 49.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.33
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.94
Polar Surface Area: 93 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 78.1±3.0 dyne/cm
Molar Volume: 135.9±3.0 cm3

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