ChemSpider 2D Image | 3,5-Dihydroxy-2-(3-hydroxybenzoyl)phenolate | C13H9O5

3,5-Dihydroxy-2-(3-hydroxybenzoyl)phenolate

  • Molecular FormulaC13H9O5
  • Average mass245.208 Da
  • Monoisotopic mass245.045547 Da
  • ChemSpider ID31150351

  • Charge - Charge

More details:

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

3,5-Dihydroxy-2-(3-hydroxybenzoyl)phenolat [German] [ACD/IUPAC Name]
3,5-Dihydroxy-2-(3-hydroxybenzoyl)phenolate [ACD/IUPAC Name]
3,5-Dihydroxy-2-(3-hydroxybenzoyl)phénolate [French] [ACD/IUPAC Name]
Methanone, (3-hydroxyphenyl)(2,4,6-trihydroxyphenyl)-, ion(1-) [ACD/Index Name]
2,3',4,6-tetrahydroxybenzophenone
2,3',4,6-tetrahydroxybenzophenone(1-)
  • Miscellaneous

    • Chemical Class:

      A phenolate anion that is the conjugate base of 2,3',4,6-tetrahydroxybenzophenone, obtained by deprotonation of the phenolic hydroxy group at position 2; major species at pH 7.3. ChEBI CHEBI:77647

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

Density:
Boiling Point: 489.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 263.8±21.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.62
ACD/KOC (pH 5.5): 461.07
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 7.55
ACD/KOC (pH 7.4): 92.56
Polar Surface Area: 101 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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