ChemSpider 2D Image | (3S)-3-Hydroxy-3-methyl-1,3-dihydro-2H-indol-2-one | C9H9NO2

(3S)-3-Hydroxy-3-methyl-1,3-dihydro-2H-indol-2-one

  • Molecular FormulaC9H9NO2
  • Average mass163.173 Da
  • Monoisotopic mass163.063324 Da
  • ChemSpider ID67965611

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxy-3-methyl-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3S)-3-Hydroxy-3-methyl-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3S)-3-Hydroxy-3-méthyl-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
2H-Indol-2-one, 1,3-dihydro-3-hydroxy-3-methyl-, (3S)- [ACD/Index Name]
(-)-(3S)-3-hydroxy-3-methyloxindole

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

Density: 1.3±0.1 g/cm3
Boiling Point: 378.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 182.4±27.9 °C
Index of Refraction: 1.604
Molar Refractivity: 43.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.40
ACD/KOC (pH 5.5): 44.35
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 44.35
Polar Surface Area: 49 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 126.5±3.0 cm3

Click to predict properties on the Chemicalize site


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