ChemSpider 2D Image | 2-Ethyl-5,6-dihydroxy-7-methoxy-1,3,4(2H)-isoquinolinetrione | C12H11NO6

2-Ethyl-5,6-dihydroxy-7-methoxy-1,3,4(2H)-isoquinolinetrione

  • Molecular FormulaC12H11NO6
  • Average mass265.219 Da
  • Monoisotopic mass265.058624 Da
  • ChemSpider ID28634784

More details:

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

1,3,4(2H)-Isoquinolinetrione, 2-ethyl-5,6-dihydroxy-7-methoxy- [ACD/Index Name]
2-Ethyl-5,6-dihydroxy-7-methoxy-1,3,4(2H)-isochinolintrion [German] [ACD/IUPAC Name]
2-Éthyl-5,6-dihydroxy-7-méthoxy-1,3,4(2H)-isoquinoléinetrione [French] [ACD/IUPAC Name]
2-Ethyl-5,6-dihydroxy-7-methoxy-1,3,4(2H)-isoquinolinetrione [ACD/IUPAC Name]
2-ethyl-5,6-dihydroxy-7-methoxyisoquinoline-1,3,4(2H)-trione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 531.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 275.4±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 62.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.07
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.11
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 175.3±3.0 cm3

Click to predict properties on the Chemicalize site


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