ChemSpider 2D Image | (2S)-2-Hydroxy(2-~2~H)-2,3-dihydro-1,4-naphthalenedione | C10H7DO3

(2S)-2-Hydroxy(2-2H)-2,3-dihydro-1,4-naphthalenedione

  • Molecular FormulaC10H7DO3
  • Average mass177.175 Da
  • Monoisotopic mass177.053619 Da
  • ChemSpider ID75578809

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-2-Hydroxy(2-2H)-2,3-dihydro-1,4-naphtalènedione [French] [ACD/IUPAC Name]
(2S)-2-Hydroxy(2-2H)-2,3-dihydro-1,4-naphthalenedione [ACD/IUPAC Name]
(2S)-2-Hydroxy(2-2H)-2,3-dihydro-1,4-naphthalindion [German] [ACD/IUPAC Name]
1,4-Naphthalenedione-2-d, 2,3-dihydro-2-hydroxy-, (2S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 390.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 204.0±24.4 °C
Index of Refraction: 1.630
Molar Refractivity: 44.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 63.36
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 2.31
ACD/KOC (pH 7.4): 63.36
Polar Surface Area: 54 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 126.2±3.0 cm3

Click to predict properties on the Chemicalize site


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