ChemSpider 2D Image | (2E)-3-{3-Hydroxy-4-[(~2~H_3_)methyloxy]phenyl}acrylic acid | C10H7D3O4

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

  • Molecular FormulaC10H7D3O4
  • Average mass197.202 Da
  • Monoisotopic mass197.076736 Da
  • ChemSpider ID31046579

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-3-{3-Hydroxy-4-[(2H3)methyloxy]phenyl}acrylic acid [ACD/IUPAC Name]
(2E)-3-{3-Hydroxy-4-[(2H3)methyloxy]phenyl}acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[3-hydroxy-4-(methyl-d3-oxy)phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{3-hydroxy-4-[(2H3)méthyloxy]phényl}acrylique [French] [ACD/IUPAC Name]
(2E)-3-{3-Hydroxy-4-[(2H3)methyloxy]phenyl}prop-2-enoic acid
(E)-3-[3-hydroxy-4-(trideuteriomethoxy)phenyl]prop-2-enoic acid
1028203-97-5 [RN]
3-Hydroxy-4-methoxycinnamic Acid-d3 (Isoferulic Acid-d3)
Isoferulic acid-d3

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 410.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.9±3.0 kJ/mol
    Flash Point: 167.6±19.4 °C
    Index of Refraction: 1.627
    Molar Refractivity: 52.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.56
    ACD/LogD (pH 5.5): 0.62
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 17.32
    ACD/LogD (pH 7.4): -1.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 20.7±0.5 10-24cm3
    Surface Tension: 56.2±3.0 dyne/cm
    Molar Volume: 147.5±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement