ChemSpider 2D Image | (+)-1-hydroxyboivinianic acid | C12H12O5

(+)-1-hydroxyboivinianic acid

  • Molecular FormulaC12H12O5
  • Average mass236.221 Da
  • Monoisotopic mass236.068466 Da
  • ChemSpider ID65323165

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-1-hydroxyboivinianic acid
3-Hydroxy-4-[(2R)-2-methyl-5-oxotetrahydro-2-furanyl]benzoesäure [German] [ACD/IUPAC Name]
3-Hydroxy-4-[(2R)-2-methyl-5-oxotetrahydro-2-furanyl]benzoic acid [ACD/IUPAC Name]
Acide 3-hydroxy-4-[(2R)-2-méthyl-5-oxotétrahydro-2-furanyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-hydroxy-4-[(2R)-tetrahydro-2-methyl-5-oxo-2-furanyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 488.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 194.4±22.2 °C
Index of Refraction: 1.599
Molar Refractivity: 58.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.56
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 169.8±3.0 cm3

Click to predict properties on the Chemicalize site


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