Found 3 results

Search term: DXJJIVPNDZWMEL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,2S)-2-Hydroxycyclooctanecarboxamide | C9H17NO2

(1R,2S)-2-Hydroxycyclooctanecarboxamide

  • Molecular FormulaC9H17NO2
  • Average mass171.237 Da
  • Monoisotopic mass171.125931 Da
  • ChemSpider ID61585239

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-Hydroxycyclooctancarboxamid [German] [ACD/IUPAC Name]
(1R,2S)-2-Hydroxycyclooctanecarboxamide [ACD/IUPAC Name]
(1R,2S)-2-Hydroxycyclooctanecarboxamide [French] [ACD/IUPAC Name]
Cyclooctanecarboxamide, 2-hydroxy-, (1R,2S)- [ACD/Index Name]
57906-81-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 372.3±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.7±6.0 kJ/mol
Flash Point: 179.0±24.8 °C
Index of Refraction: 1.504
Molar Refractivity: 46.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.09
ACD/KOC (pH 5.5): 95.40
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.09
ACD/KOC (pH 7.4): 95.40
Polar Surface Area: 63 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 157.3±3.0 cm3

Click to predict properties on the Chemicalize site


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