ChemSpider 2D Image | 2,6-Dimethyl-1-oxo-4-indanecarboxylic acid | C12H12O3

2,6-Dimethyl-1-oxo-4-indanecarboxylic acid

  • Molecular FormulaC12H12O3
  • Average mass204.222 Da
  • Monoisotopic mass204.078644 Da
  • ChemSpider ID24639888

More details:

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

1H-Indene-4-carboxylic acid, 2,3-dihydro-2,6-dimethyl-1-oxo- [ACD/Index Name]
2,6-Dimethyl-1-oxo-4-indancarbonsäure [German] [ACD/IUPAC Name]
2,6-Dimethyl-1-oxo-4-indanecarboxylic acid [ACD/IUPAC Name]
Acide 2,6-diméthyl-1-oxo-4-indanecarboxylique [French] [ACD/IUPAC Name]
1067197-70-9 [RN]
2,6- dimethyl-1-oxo-4-indanecarboxylic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 396.5±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 207.8±24.1 °C
Index of Refraction: 1.587
Molar Refractivity: 55.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 2.05
ACD/KOC (pH 5.5): 18.92
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 163.8±3.0 cm3

Click to predict properties on the Chemicalize site


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