ChemSpider 2D Image | 2-hydroxyl-5-methyl-naphthoate | C12H9O3

2-hydroxyl-5-methyl-naphthoate

  • Molecular FormulaC12H9O3
  • Average mass201.199 Da
  • Monoisotopic mass201.055725 Da
  • ChemSpider ID24775648

  • Charge - Charge

More details:

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

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

    • Chemical Class:

      A member of the class of naphthoates that is 1-naphthoate substituted at positions 2 and 5 by hydroxy and methyl groups respectively; major species at pH 7.3. ChEBI CHEBI:82757

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

Density:
Boiling Point: 413.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 218.0±21.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 6.49
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.93
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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