ChemSpider 2D Image | Hydroxy[4-hydroxy-3-methoxy(~2~H_3_)phenyl]acetic acid | C9H7D3O5

Hydroxy[4-hydroxy-3-methoxy(2H3)phenyl]acetic acid

  • Molecular FormulaC9H7D3O5
  • Average mass201.191 Da
  • Monoisotopic mass201.071655 Da
  • ChemSpider ID49073314

  • Non-standard isotope - Non-standard isotope

More details:

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

200-659-6 [EINECS]
Acide hydroxy[4-hydroxy-3-méthoxy(2H3)phényl]acétique [French] [ACD/IUPAC Name]
Benzene-2,3,6-d3-acetic acid, α,4-dihydroxy-5-methoxy- [ACD/Index Name]
Hydroxy[4-hydroxy-3-methoxy(2H3)phenyl]acetic acid [ACD/IUPAC Name]
Hydroxy[4-hydroxy-3-methoxy(2H3)phenyl]essigsäure [German] [ACD/IUPAC 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: 421.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 173.7±22.2 °C
Index of Refraction: 1.606
Molar Refractivity: 47.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.11
ACD/LogD (pH 5.5): -2.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 137.6±3.0 cm3

Click to predict properties on the Chemicalize site


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