ChemSpider 2D Image | Methyl (1R,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate | C9H12O2

Methyl (1R,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate

  • Molecular FormulaC9H12O2
  • Average mass152.190 Da
  • Monoisotopic mass152.083725 Da
  • ChemSpider ID30771698

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R,4S)-Bicyclo[2.2.1]hept-5-ène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl ester, (1R,2R,4S)- [ACD/Index Name]
Methyl (1R,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,4S)-bicyclo[2.2.1]hept-5-en-2-carboxylat [German] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl ester, exo-

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 195.8±19.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.2±3.0 kJ/mol
Flash Point: 62.5±9.0 °C
Index of Refraction: 1.513
Molar Refractivity: 40.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 52.05
ACD/KOC (pH 5.5): 589.13
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 52.05
ACD/KOC (pH 7.4): 589.13
Polar Surface Area: 26 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 136.1±3.0 cm3

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