ChemSpider 2D Image | (2S)-2-{6-[(~2~H_3_)Methyloxy]-2-naphthyl}propanoic acid | C14H11D3O3

(2S)-2-{6-[(2H3)Methyloxy]-2-naphthyl}propanoic acid

  • Molecular FormulaC14H11D3O3
  • Average mass233.278 Da
  • Monoisotopic mass233.113129 Da
  • ChemSpider ID34559575

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-2-{6-[(2H3)Methyloxy]-2-naphthyl}propanoic acid [ACD/IUPAC Name]
(2S)-2-{6-[(2H3)Methyloxy]-2-naphthyl}propansäure [German] [ACD/IUPAC Name]
2-Naphthaleneacetic acid, α-methyl-6-(methyl-d3-oxy)-, (αS)- [ACD/Index Name]
Acide (2S)-2-{6-[(2H3)méthyloxy]-2-naphtyl}propanoïque [French] [ACD/IUPAC Name]
(S)-Naproxen-d3
1094102-82-5 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 403.9±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.1±3.0 kJ/mol
    Flash Point: 154.5±15.3 °C
    Index of Refraction: 1.609
    Molar Refractivity: 66.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.00
    ACD/LogD (pH 5.5): 2.24
    ACD/BCF (pH 5.5): 19.70
    ACD/KOC (pH 5.5): 180.88
    ACD/LogD (pH 7.4): 0.45
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.95
    Polar Surface Area: 47 Å2
    Polarizability: 26.4±0.5 10-24cm3
    Surface Tension: 47.5±3.0 dyne/cm
    Molar Volume: 192.3±3.0 cm3

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