ChemSpider 2D Image | Ethyl (1S,2S)-2-cyano-2-hydroxycyclopentanecarboxylate | C9H13NO3

Ethyl (1S,2S)-2-cyano-2-hydroxycyclopentanecarboxylate

  • Molecular FormulaC9H13NO3
  • Average mass183.204 Da
  • Monoisotopic mass183.089539 Da
  • ChemSpider ID57555546

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-Cyano-2-hydroxycyclopentanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
CYCLOPENTANECARBOXYLIC ACID, 2-CYANO-2-HYDROXY-, ETHYL ESTER, (1S,2S)- [ACD/Index Name]
Ethyl (1S,2S)-2-cyano-2-hydroxycyclopentanecarboxylate [ACD/IUPAC Name]
Ethyl-(1S,2S)-2-cyan-2-hydroxycyclopentancarboxylat [German] [ACD/IUPAC Name]
834886-28-1 [RN]
Ethyl (1S,2S)-2-cyano-2-hydroxycyclopentane-1-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 320.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 65.2±6.0 kJ/mol
Flash Point: 147.7±27.9 °C
Index of Refraction: 1.494
Molar Refractivity: 45.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.06
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 48.26
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 48.24
Polar Surface Area: 70 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 154.7±5.0 cm3

Click to predict properties on the Chemicalize site


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