ChemSpider 2D Image | Methyl [4-hydroxy(~2~H_4_)phenyl](~2~H_2_)acetate | C9H4D6O3

Methyl [4-hydroxy(2H4)phenyl](2H2)acetate

  • Molecular FormulaC9H4D6O3
  • Average mass172.211 Da
  • Monoisotopic mass172.100662 Da
  • ChemSpider ID58780296

  • Non-standard isotope - Non-standard isotope

More details:

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

[4-Hydroxy(2H4)phényl](2H2)acétate de méthyle [French] [ACD/IUPAC Name]
Benzene-2,3,5,6-d4-acetic-d2 acid, 4-hydroxy-, methyl ester [ACD/Index Name]
Methyl [4-hydroxy(2H4)phenyl](2H2)acetate [ACD/IUPAC Name]
Methyl-[4-hydroxy(2H4)phenyl](2H2)acetat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 318.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.3±3.0 kJ/mol
Flash Point: 118.1±13.2 °C
Index of Refraction: 1.539
Molar Refractivity: 44.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.25
ACD/KOC (pH 5.5): 184.13
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.20
ACD/KOC (pH 7.4): 183.26
Polar Surface Area: 47 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 140.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement