Found 3 results

Search term: IJZJQOKHINBQCY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (1S)-1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate | C8H10O4

Methyl (1S)-1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate

  • Molecular FormulaC8H10O4
  • Average mass170.163 Da
  • Monoisotopic mass170.057907 Da
  • ChemSpider ID57616331

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-Hydroxy-6-oxo-2-cyclohexène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
2-Cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, methyl ester, (1S)- [ACD/Index Name]
Methyl (1S)-1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate [ACD/IUPAC Name]
Methyl-(1S)-1-hydroxy-6-oxo-2-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
956264-72-5 [RN]
methyl (1S)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 272.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 59.3±6.0 kJ/mol
Flash Point: 109.0±20.8 °C
Index of Refraction: 1.529
Molar Refractivity: 39.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.09
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.08
Polar Surface Area: 64 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 129.3±3.0 cm3

Click to predict properties on the Chemicalize site


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