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Search term: ICOICHVCIDIDRH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,4S)-2-Methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid | C10H14O4

(1R,4S)-2-Methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid

  • Molecular FormulaC10H14O4
  • Average mass198.216 Da
  • Monoisotopic mass198.089203 Da
  • ChemSpider ID96451464

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1R,4S)-2-Methylbicyclo[2.2.1]heptan-2,3-dicarbonsäure [German] [ACD/IUPAC Name]
(1R,4S)-2-Methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid [ACD/IUPAC Name]
Acide (1R,4S)-2-méthylbicyclo[2.2.1]heptane-2,3-dicarboxylique [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 2-methyl-, (1R,4S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 392.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.5±6.0 kJ/mol
Flash Point: 205.2±19.7 °C
Index of Refraction: 1.550
Molar Refractivity: 47.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.03
ACD/LogD (pH 7.4): -2.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 148.1±3.0 cm3

Click to predict properties on the Chemicalize site


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