ChemSpider 2D Image | (2S)-2-(6-Methoxy-2-naphthyl)(2,3-~2~H_2_)propan(~2~H)oic acid | C14H11D3O3

(2S)-2-(6-Methoxy-2-naphthyl)(2,3-2H2)propan(2H)oic acid

  • Molecular FormulaC14H11D3O3
  • Average mass233.278 Da
  • Monoisotopic mass233.113129 Da
  • ChemSpider ID114392286

  • 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-Methoxy-2-naphthyl)(2,3-2H2)propan(2H)oic acid [ACD/IUPAC Name]
(2S)-2-(6-Methoxy-2-naphthyl)(2,3-2H2)propan(2H)säure [German] [ACD/IUPAC Name]
2-Naphthaleneacetic-d acid-d, 6-methoxy-α-(methyl-d)-, (αS)- [ACD/Index Name]
Acide (2S)-2-(6-méthoxy-2-naphtyl)(2,3-2H2)propan(2H)oïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

Click to predict properties on the Chemicalize site


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