ChemSpider 2D Image | 3-{3-Hydroxy-4-[(~2~H_3_)methyloxy]phenyl}propanoic acid | C10H9D3O4

3-{3-Hydroxy-4-[(2H3)methyloxy]phenyl}propanoic acid

  • Molecular FormulaC10H9D3O4
  • Average mass199.218 Da
  • Monoisotopic mass199.092392 Da
  • ChemSpider ID34559616

  • Non-standard isotope - Non-standard isotope

More details:

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

3-{3-Hydroxy-4-[(2H3)methyloxy]phenyl}propanoic acid [ACD/IUPAC Name]
3-{3-Hydroxy-4-[(2H3)methyloxy]phenyl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{3-hydroxy-4-[(2H3)méthyloxy]phényl}propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-hydroxy-4-(methyl-d3-oxy)- [ACD/Index Name]
1794828-46-8 [RN]
3-(3-Hydroxy-4-methoxy-d3-phenyl)propionic acid
3-(3-Hydroxy-4-methoxy-d3-phenyl)propionic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 378.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 152.2±17.2 °C
Index of Refraction: 1.562
Molar Refractivity: 50.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.63
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 155.8±3.0 cm3

Click to predict properties on the Chemicalize site


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