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ChemSpider 2D Image | 3-Methoxy-5-methyl-1-naphthoate | C13H11O3

3-Methoxy-5-methyl-1-naphthoate

  • Molecular FormulaC13H11O3
  • Average mass215.225 Da
  • Monoisotopic mass215.071365 Da
  • ChemSpider ID34448487
  • Charge - Charge


More details:






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

1-Naphthalenecarboxylic acid, 3-methoxy-5-methyl-, ion(1-) [ACD/Index Name]
3-Methoxy-5-methyl-1-naphthoat [German] [ACD/IUPAC Name]
3-Methoxy-5-methyl-1-naphthoate [ACD/IUPAC Name]
3-Méthoxy-5-méthyl-1-naphtoate [French] [ACD/IUPAC Name]
  • Miscellaneous
    • Chemical Class:

      A naphthoate that is the conjugate base of 3-methoxy-5-methyl-1-naphthoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:78620

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

Density:
Boiling Point: 415.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 163.5±16.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 2.87
ACD/KOC (pH 5.5): 21.94
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.38
Polar Surface Area: 49 Å2
Polarizability:
Surface Tension:
Molar Volume:

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