ChemSpider 2D Image | (3S)-3-Hydroxy-5,6-indolinedione | C8H7NO3

(3S)-3-Hydroxy-5,6-indolinedione

  • Molecular FormulaC8H7NO3
  • Average mass165.146 Da
  • Monoisotopic mass165.042587 Da
  • ChemSpider ID25058961

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione
(3S)-3-Hydroxy-5,6-indolindion [German] [ACD/IUPAC Name]
(3S)-3-Hydroxy-5,6-indolinedione [ACD/IUPAC Name]
(3S)-3-Hydroxy-5,6-indolinedione [French] [ACD/IUPAC Name]
1H-Indole-5,6-dione, 2,3-dihydro-3-hydroxy-, (3S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 410.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.6±6.0 kJ/mol
Flash Point: 202.0±28.7 °C
Index of Refraction: 1.642
Molar Refractivity: 39.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.06
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.02
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.04
Polar Surface Area: 66 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 110.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement