ChemSpider 2D Image | 3-Hydroxy-3-[3-hydroxy(~2~H_4_)phenyl]propanoic acid | C9H6D4O4

3-Hydroxy-3-[3-hydroxy(2H4)phenyl]propanoic acid

  • Molecular FormulaC9H6D4O4
  • Average mass186.198 Da
  • Monoisotopic mass186.083023 Da
  • ChemSpider ID107435881

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Hydroxy-3-[3-hydroxy(2H4)phenyl]propanoic acid [ACD/IUPAC Name]
3-Hydroxy-3-[3-hydroxy(2H4)phenyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-3-[3-hydroxy(2H4)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzene-2,3,4,6-d4-propanoic acid, β,5-dihydroxy- [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: 421.7±35.0 °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: 223.0±22.4 °C
Index of Refraction: 1.615
Molar Refractivity: 45.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.09
ACD/LogD (pH 7.4): -3.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 69.7±3.0 dyne/cm
Molar Volume: 130.1±3.0 cm3

Click to predict properties on the Chemicalize site


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