ChemSpider 2D Image | MFCD08702919 | C8H5D3O3

MFCD08702919

  • Molecular FormulaC8H5D3O3
  • Average mass155.166 Da
  • Monoisotopic mass155.066177 Da
  • ChemSpider ID49071724

  • Non-standard isotope - Non-standard isotope

More details:

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

1173018-82-0 [RN]
3-Hydroxy-4-methoxy(2H3)benzaldehyd [German] [ACD/IUPAC Name]
3-Hydroxy-4-methoxy(2H3)benzaldehyde [ACD/IUPAC Name]
3-Hydroxy-4-méthoxy(2H3)benzaldéhyde [French] [ACD/IUPAC Name]
3-Hydroxy-4-methoxybenzaldehyde-2,5,6-d3
Benzaldehyde-2,3,6-d3, 5-hydroxy-4-methoxy- [ACD/Index Name]
ISOVANILLIN-2,5,6-D3
MFCD08702919

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

Density: 1.2±0.1 g/cm3
Boiling Point: 308.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 119.9±15.3 °C
Index of Refraction: 1.588
Molar Refractivity: 41.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.32
ACD/KOC (pH 5.5): 99.14
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.26
ACD/KOC (pH 7.4): 97.78
Polar Surface Area: 47 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 123.5±3.0 cm3

Click to predict properties on the Chemicalize site


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