ChemSpider 2D Image | redoxcitrinin | C13H16O4

redoxcitrinin

  • Molecular FormulaC13H16O4
  • Average mass236.264 Da
  • Monoisotopic mass236.104858 Da
  • ChemSpider ID27023177

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,4-Dihydroxy-3,5-dimethyl-6-[(2S)-3-oxo-2-butanyl]benzaldehyd [German] [ACD/IUPAC Name]
2,4-Dihydroxy-3,5-dimethyl-6-[(2S)-3-oxo-2-butanyl]benzaldehyde [ACD/IUPAC Name]
2,4-Dihydroxy-3,5-diméthyl-6-[(2S)-3-oxo-2-butanyl]benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 2,4-dihydroxy-3,5-dimethyl-6-[(1S)-1-methyl-2-oxopropyl]- [ACD/Index Name]
redoxcitrinin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 420.1±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 222.0±19.4 °C
Index of Refraction: 1.587
Molar Refractivity: 65.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.80
ACD/KOC (pH 5.5): 404.28
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 23.81
ACD/KOC (pH 7.4): 312.57
Polar Surface Area: 75 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 194.2±3.0 cm3

Click to predict properties on the Chemicalize site


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