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Search term: YJRLSCDUYLRBIZ-UHFFFAOYSA-M (Found by InChIKey (full match))

ChemSpider 2D Image | 3-Hydroxy-2-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)benzoyl]-5-methylphenolate | C17H15O7

3-Hydroxy-2-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)benzoyl]-5-methylphenolate

  • Molecular FormulaC17H15O7
  • Average mass331.297 Da
  • Monoisotopic mass331.082336 Da
  • ChemSpider ID31150346
  • Charge - Charge


More details:






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

3-Hydroxy-2-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)benzoyl]-5-methylphenolat [German] [ACD/IUPAC Name]
3-Hydroxy-2-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)benzoyl]-5-methylphenolate [ACD/IUPAC Name]
3-Hydroxy-2-[4-hydroxy-2-méthoxy-6-(méthoxycarbonyl)benzoyl]-5-méthylphénolate [French] [ACD/IUPAC Name]
Benzoic acid, 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxy-, methyl ester, ion(1-) [ACD/Index Name]
Sulochrin
sulochrin(1-)
  • Miscellaneous
    • Chemical Class:

      A phenolate anion that is the conjugate base of sulochrin, obtained by deprotonation of one of the phenolic hydroxy groups; major species at pH 7.3. ChEBI CHEBI:77639

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

Density:
Boiling Point: 576.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 212.6±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 284.07
ACD/KOC (pH 5.5): 1918.85
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 12.94
ACD/KOC (pH 7.4): 87.40
Polar Surface Area: 116 Å2
Polarizability:
Surface Tension:
Molar Volume:

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