ChemSpider 2D Image | 1-Methyl-4,6-dioxo-1,2-cyclohexanedicarboxylic acid | C9H10O6

1-Methyl-4,6-dioxo-1,2-cyclohexanedicarboxylic acid

  • Molecular FormulaC9H10O6
  • Average mass214.172 Da
  • Monoisotopic mass214.047745 Da
  • ChemSpider ID28701760

More details:

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

1,2-Cyclohexanedicarboxylic acid, 1-methyl-4,6-dioxo- [ACD/Index Name]
1-Methyl-4,6-dioxo-1,2-cyclohexandicarbonsäure [German] [ACD/IUPAC Name]
1-Methyl-4,6-dioxo-1,2-cyclohexanedicarboxylic acid [ACD/IUPAC Name]
Acide 1-méthyl-4,6-dioxo-1,2-cyclohexanedicarboxylique [French] [ACD/IUPAC Name]
1-Methyl-4,6-dioxocyclohexane-1,2-dicarboxylic acid
89505-70-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 521.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.0±6.0 kJ/mol
Flash Point: 283.4±26.6 °C
Index of Refraction: 1.541
Molar Refractivity: 44.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.87
ACD/LogD (pH 5.5): -3.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 142.4±3.0 cm3

Click to predict properties on the Chemicalize site


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