ChemSpider 2D Image | 2-Hydroxy-3,3-dimethyl-7-nitro-3,4-dihydro-1(2H)-isoquinolinone | C11H12N2O4

2-Hydroxy-3,3-dimethyl-7-nitro-3,4-dihydro-1(2H)-isoquinolinone

  • Molecular FormulaC11H12N2O4
  • Average mass236.224 Da
  • Monoisotopic mass236.079712 Da
  • ChemSpider ID24740054

More details:

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

1(2H)-Isoquinolinone, 3,4-dihydro-2-hydroxy-3,3-dimethyl-7-nitro- [ACD/Index Name]
2-Hydroxy-3,3-dimethyl-7-nitro-3,4-dihydro-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
2-Hydroxy-3,3-diméthyl-7-nitro-3,4-dihydro-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
2-Hydroxy-3,3-dimethyl-7-nitro-3,4-dihydro-1(2H)-isoquinolinone [ACD/IUPAC 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: 416.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 205.8±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 59.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.46
ACD/KOC (pH 5.5): 117.15
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.22
ACD/KOC (pH 7.4): 90.63
Polar Surface Area: 86 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 171.1±3.0 cm3

Click to predict properties on the Chemicalize site


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