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Search term: 58829933 (Found by CSID)
ChemSpider 2D Image | Benzyl 1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate | C14H14O4

Benzyl 1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate

  • Molecular FormulaC14H14O4
  • Average mass246.259 Da
  • Monoisotopic mass246.089203 Da
  • ChemSpider ID58829933

More details:

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

1-Hydroxy-6-oxo-2-cyclohexène-1-carboxylate de benzyle [French] [ACD/IUPAC Name]
2-Cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, phenylmethyl ester [ACD/Index Name]
Benzyl 1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate [ACD/IUPAC Name]
Benzyl-1-hydroxy-6-oxo-2-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
benzyl-6-hydroxy-2-cyclohexene-on-oyl
benzyl-HCH
  • Miscellaneous

    • Compound Source:

      Linum usitatissimum PlantCyc CPD-13175
      Populus trichocarpa PlantCyc CPD-13175
      salicortin biosynthesis PlantCyc CPD-13175

    • Bio Activity:

      6-hydroxy-2-cyclohexen-one-carboxylate + benzyl alcohol + H+ -> benzyl-6-hydroxy-2-cyclohexene-on-oyl + H2O PlantCyc CPD-13175
      benzyl-6-hydroxy-2-cyclohexene-on-oyl + a reduced electron acceptor + oxygen -> salicyl-6-hydroxy-2-cyclohexene-on-oyl + an oxidized electron acceptor + H2O PlantCyc CPD-13175
      benzyl-6-hydroxy-2-cyclohexene-on-oyl + H2O <- 6-hydroxy-2-cyclohexen-one-carboxylate + benzyl alcohol + H+ PlantCyc CPD-13175
      benzylbenzoate -> benzyl-6-hydroxy-2-cyclohexene-on-oyl PlantCyc CPD-13175

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

Density: 1.3±0.1 g/cm3
Boiling Point: 391.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 147.2±21.4 °C
Index of Refraction: 1.593
Molar Refractivity: 64.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.18
ACD/KOC (pH 5.5): 128.21
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.18
ACD/KOC (pH 7.4): 128.06
Polar Surface Area: 64 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 190.0±3.0 cm3

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