ChemSpider 2D Image | 2-[(S)-(3,4-Dihydroxyphenyl)(hydroxy)methoxy]-4-hydroxybenzaldehyde | C14H12O6

2-[(S)-(3,4-Dihydroxyphenyl)(hydroxy)methoxy]-4-hydroxybenzaldehyde

  • Molecular FormulaC14H12O6
  • Average mass276.241 Da
  • Monoisotopic mass276.063385 Da
  • ChemSpider ID28651080

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(S)-(3,4-Dihydroxyphenyl)(hydroxy)methoxy]-4-hydroxybenzaldehyd [German] [ACD/IUPAC Name]
2-[(S)-(3,4-Dihydroxyphenyl)(hydroxy)methoxy]-4-hydroxybenzaldehyde [ACD/IUPAC Name]
2-[(S)-(3,4-Dihydroxyphényl)(hydroxy)méthoxy]-4-hydroxybenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 2-[(S)-(3,4-dihydroxyphenyl)hydroxymethoxy]-4-hydroxy- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 612.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 237.8±25.0 °C
Index of Refraction: 1.727
Molar Refractivity: 71.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.67
ACD/KOC (pH 5.5): 69.87
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 27.99
Polar Surface Area: 107 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 83.2±3.0 dyne/cm
Molar Volume: 179.3±3.0 cm3

Click to predict properties on the Chemicalize site


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