ChemSpider 2D Image | DK4900000 | C6H6N2O2

DK4900000

  • Molecular FormulaC6H6N2O2
  • Average mass138.124 Da
  • Monoisotopic mass138.042923 Da
  • ChemSpider ID21159453

More details:

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

1,4-Cyclohexanediol [ACD/Index Name] [ACD/IUPAC Name]
105-11-3 [RN]
2,5-Cyclohexadiene-1,4-dione, dioxime [ACD/Index Name]
203-271-5 [EINECS]
DK4900000
MFCD00063636 [MDL number]
N,N'-Dihydroxy-2,5-cyclohexadien-1,4-diimin [German] [ACD/IUPAC Name]
N,N'-Dihydroxy-2,5-cyclohexadiene-1,4-diimine [ACD/IUPAC Name]
N,N'-Dihydroxy-2,5-cyclohexadiène-1,4-diimine [French] [ACD/IUPAC Name]
para-Benzoquinone dioxime
More...

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

2043234 [DBID]
UNII:MGE6YH92Q2 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 303.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 63.0±6.0 kJ/mol
Flash Point: 182.5±17.1 °C
Index of Refraction: 1.594
Molar Refractivity: 35.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.24
ACD/KOC (pH 5.5): 170.92
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.15
ACD/KOC (pH 7.4): 169.29
Polar Surface Area: 65 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 104.4±7.0 cm3

Click to predict properties on the Chemicalize site


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