ChemSpider 2D Image | 2-Hydroxy-7-methoxy-5-methyl-1-naphthoate | C13H11O4

2-Hydroxy-7-methoxy-5-methyl-1-naphthoate

  • Molecular FormulaC13H11O4
  • Average mass231.225 Da
  • Monoisotopic mass231.066284 Da
  • ChemSpider ID31150518

  • Charge - Charge

More details:

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

1-Naphthalenecarboxylic acid, 2-hydroxy-7-methoxy-5-methyl-, ion(1-) [ACD/Index Name]
2-Hydroxy-7-methoxy-5-methyl-1-naphthoat [German] [ACD/IUPAC Name]
2-Hydroxy-7-methoxy-5-methyl-1-naphthoate [ACD/IUPAC Name]
2-Hydroxy-7-méthoxy-5-méthyl-1-naphtoate [French] [ACD/IUPAC Name]
  • Miscellaneous

    • Chemical Class:

      A member of the class of naphthoates that is 1-naphthoate substituted at positions 2, 5 and 7 by hydroxy, methyl and methoxy groups respectively; major species at pH 7.3. ChEBI CHEBI:78282

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

Density:
Boiling Point: 450.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 177.2±22.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 6.62
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.80
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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