ChemSpider 2D Image | Adrenaline Related Compound 1 | C9H7D3O5

Adrenaline Related Compound 1

  • Molecular FormulaC9H7D3O5
  • Average mass201.191 Da
  • Monoisotopic mass201.071655 Da
  • ChemSpider ID23936317

  • Non-standard isotope - Non-standard isotope

More details:

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

74495-70-8 [RN]
Acide hydroxy{4-hydroxy-3-[(2H3)méthyloxy]phényl}acétique [French] [ACD/IUPAC Name]
Adrenaline Related Compound 1
Benzeneacetic acid, α,4-dihydroxy-3-(methyl-d3-oxy)- [ACD/Index Name]
Hydroxy{4-hydroxy-3-[(2H3)methyloxy]phenyl}acetic acid [ACD/IUPAC Name]
Hydroxy{4-hydroxy-3-[(2H3)methyloxy]phenyl}essigsäure [German] [ACD/IUPAC Name]
(?)-4-Hydroxy-3-methoxy-d3-mandelic Acid
(±)-4-Hydroxy-3-methoxy-d3-mandelic Acid
2-hydroxy-2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]acetic acid
4-Hydroxy-3-(methoxy-d3)-mandelic Acid
More...

    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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