ChemSpider 2D Image | 1,3-Benzodioxole-4,6-dicarboxylic acid | C9H6O6

1,3-Benzodioxole-4,6-dicarboxylic acid

  • Molecular FormulaC9H6O6
  • Average mass210.140 Da
  • Monoisotopic mass210.016434 Da
  • ChemSpider ID60801851

More details:

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

1,3-Benzodioxol-4,6-dicarbonsäure [German] [ACD/IUPAC Name]
1,3-Benzodioxole-4,6-dicarboxylic acid [ACD/Index Name] [ACD/IUPAC Name]
Acide 1,3-benzodioxole-4,6-dicarboxylique [French] [ACD/IUPAC Name]
33842-20-5 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 457.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 192.4±22.2 °C
Index of Refraction: 1.658
Molar Refractivity: 46.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 89.8±3.0 dyne/cm
Molar Volume: 125.7±3.0 cm3

Click to predict properties on the Chemicalize site


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