Found 3 results

Search term: MF = 'C_{9}H_{6}D_{4}O_{3}'
ChemSpider 2D Image | Methyl 4-(hydroxymethyl)(~2~H_4_)benzoate | C9H6D4O3

Methyl 4-(hydroxymethyl)(2H4)benzoate

  • Molecular FormulaC9H6D4O3
  • Average mass170.199 Da
  • Monoisotopic mass170.088104 Da
  • ChemSpider ID64858068

  • Non-standard isotope - Non-standard isotope

More details:

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

4-(Hydroxyméthyl)(2H4)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic-2,3,5,6-d4 acid, 4-(hydroxymethyl)-, methyl ester [ACD/Index Name]
Methyl 4-(hydroxymethyl)(2H4)benzoate [ACD/IUPAC Name]
Methyl-4-(hydroxymethyl)(2H4)benzoat [German] [ACD/IUPAC Name]
1365183-52-3 [RN]
METHYL 4-(HYDROXYMETHYL)BENZOATE-D4

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 295.3±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.5±3.0 kJ/mol
    Flash Point: 129.2±15.4 °C
    Index of Refraction: 1.543
    Molar Refractivity: 44.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.01
    ACD/LogD (pH 5.5): 1.29
    ACD/BCF (pH 5.5): 5.66
    ACD/KOC (pH 5.5): 120.32
    ACD/LogD (pH 7.4): 1.29
    ACD/BCF (pH 7.4): 5.66
    ACD/KOC (pH 7.4): 120.32
    Polar Surface Area: 47 Å2
    Polarizability: 17.6±0.5 10-24cm3
    Surface Tension: 45.1±3.0 dyne/cm
    Molar Volume: 141.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement