ChemSpider 2D Image | (2S)-2-[6-Methoxy(5-~3~H)-2-naphthyl]propanoic acid | C14H13TO3

(2S)-2-[6-Methoxy(5-3H)-2-naphthyl]propanoic acid

  • Molecular FormulaC14H13TO3
  • Average mass232.267 Da
  • Monoisotopic mass232.102524 Da
  • ChemSpider ID9508670
  • 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(5-3H)-2-naphthyl]propanoic acid [ACD/IUPAC Name]
(2S)-2-[6-Methoxy(5-3H)-2-naphthyl]propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-[6-méthoxy(5-3H)-2-naphtyl]propanoïque [French] [ACD/IUPAC Name]
Naphthalene-5-t-2-acetic acid, 6-methoxy-α-methyl-, (αS)- [ACD/Index Name]

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

Density:
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:
Molar Refractivity:
#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:
Surface Tension:
Molar Volume:

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