ChemSpider 2D Image | (1R,2R,4S,5S,6S,7R)-Tricyclo[3.2.2.0~2,4~]non-8-ene-6,7-dicarboxylic acid | C11H12O4

(1R,2R,4S,5S,6S,7R)-Tricyclo[3.2.2.02,4]non-8-ene-6,7-dicarboxylic acid

  • Molecular FormulaC11H12O4
  • Average mass208.211 Da
  • Monoisotopic mass208.073563 Da
  • ChemSpider ID110546012

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,4S,5S,6S,7R)-Tricyclo[3.2.2.02,4]non-8-en-6,7-dicarbonsäure [German] [ACD/IUPAC Name]
(1R,2R,4S,5S,6S,7R)-Tricyclo[3.2.2.02,4]non-8-ene-6,7-dicarboxylic acid [ACD/IUPAC Name]
Acide (1R,2R,4S,5S,6S,7R)-tricyclo[3.2.2.02,4]non-8-ène-6,7-dicarboxylique [French] [ACD/IUPAC Name]
Tricyclo[3.2.2.02,4]non-8-ene-6,7-dicarboxylic acid, (1R,2R,4S,5S,6S,7R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 446.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±6.0 kJ/mol
Flash Point: 238.1±25.2 °C
Index of Refraction: 1.627
Molar Refractivity: 49.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.38
ACD/LogD (pH 7.4): -3.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 139.5±3.0 cm3

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