ChemSpider 2D Image | 3,4-Dihydroxy-5-[(~2~H_3_)methyloxy]benzaldehyde | C8H5D3O4

3,4-Dihydroxy-5-[(2H3)methyloxy]benzaldehyde

  • Molecular FormulaC8H5D3O4
  • Average mass171.165 Da
  • Monoisotopic mass171.061096 Da
  • ChemSpider ID9107107

  • Non-standard isotope - Non-standard isotope

More details:

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

3,4-Dihydroxy-5-[(2H3)methyloxy]benzaldehyd [German] [ACD/IUPAC Name]
3,4-Dihydroxy-5-[(2H3)methyloxy]benzaldehyde [ACD/IUPAC Name]
3,4-Dihydroxy-5-[(2H3)méthyloxy]benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 3,4-dihydroxy-5-(methyl-d3-oxy)- [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: 339.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.6±3.0 kJ/mol
Flash Point: 143.1±20.0 °C
Index of Refraction: 1.631
Molar Refractivity: 43.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.50
ACD/KOC (pH 5.5): 85.13
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.15
ACD/KOC (pH 7.4): 52.31
Polar Surface Area: 67 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 122.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement