ChemSpider 2D Image | MFCD08702877 | C8H7DO3

MFCD08702877

  • Molecular FormulaC8H7DO3
  • Average mass153.154 Da
  • Monoisotopic mass153.053619 Da
  • ChemSpider ID49071941
  • Non-standard isotope - Non-standard isotope


More details:






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

4-Hydroxy-3-methoxy(5-2H)benzaldehyd [German] [ACD/IUPAC Name]
4-Hydroxy-3-methoxy(5-2H)benzaldehyde [ACD/IUPAC Name]
4-Hydroxy-3-méthoxy(5-2H)benzaldéhyde [French] [ACD/IUPAC Name]
4-Hydroxy-3-methoxybenzaldehyde-5-d1
Benzaldehyde-3-d, 4-hydroxy-5-methoxy- [ACD/Index Name]
MFCD08702877
VANILLIN-5-D1

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 282.6±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.2±3.0 kJ/mol
Flash Point: 117.6±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: 1.19
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.58
ACD/KOC (pH 5.5): 118.96
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 3.96
ACD/KOC (pH 7.4): 84.47
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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