ChemSpider 2D Image | (1R,2R)-(3,3,6,6-~2~H_4_)-4-Cyclohexene-1,2-dicarboxylic acid | C8H6D4O4

(1R,2R)-(3,3,6,6-2H4)-4-Cyclohexene-1,2-dicarboxylic acid

  • Molecular FormulaC8H6D4O4
  • Average mass174.187 Da
  • Monoisotopic mass174.083023 Da
  • ChemSpider ID57832743

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,2R)-(3,3,6,6-2H4)-4-Cyclohexen-1,2-dicarbonsäure [German] [ACD/IUPAC Name]
(1R,2R)-(3,3,6,6-2H4)-4-Cyclohexene-1,2-dicarboxylic acid [ACD/IUPAC Name]
4-Cyclohexene-3,3,6,6-d4-1,2-dicarboxylic acid, (1R,2R)- [ACD/Index Name]
Acide (1R,2R)-(3,3,6,6-2H4)-4-cyclohexène-1,2-dicarboxylique [French] [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: 395.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 70.8±6.0 kJ/mol
Flash Point: 207.1±24.4 °C
Index of Refraction: 1.548
Molar Refractivity: 39.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 124.2±3.0 cm3

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