ChemSpider 2D Image | hypocnone A | C7H9ClO3

hypocnone A

  • Molecular FormulaC7H9ClO3
  • Average mass176.598 Da
  • Monoisotopic mass176.024017 Da
  • ChemSpider ID71048900

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4S,5S)-5-Chlor-4-hydroxy-3-(1-hydroxyethyl)-2-cyclopenten-1-on [German] [ACD/IUPAC Name]
(4S,5S)-5-Chloro-4-hydroxy-3-(1-hydroxyethyl)-2-cyclopenten-1-one [ACD/IUPAC Name]
(4S,5S)-5-Chloro-4-hydroxy-3-(1-hydroxyéthyl)-2-cyclopentén-1-one [French] [ACD/IUPAC Name]
2-Cyclopenten-1-one, 5-chloro-4-hydroxy-3-(1-hydroxyethyl)-, (4S,5S)- [ACD/Index Name]
hypocnone A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 374.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.9±6.0 kJ/mol
Flash Point: 180.0±27.9 °C
Index of Refraction: 1.555
Molar Refractivity: 40.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.70
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.70
Polar Surface Area: 58 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 124.8±5.0 cm3

Click to predict properties on the Chemicalize site


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