ChemSpider 2D Image | 2-Benzoyl-3,5-dihydroxyphenolate | C13H9O4

2-Benzoyl-3,5-dihydroxyphenolate

  • Molecular FormulaC13H9O4
  • Average mass229.209 Da
  • Monoisotopic mass229.050629 Da
  • ChemSpider ID31150383

  • Charge - Charge

More details:

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

2-Benzoyl-3,5-dihydroxyphenolat [German] [ACD/IUPAC Name]
2-Benzoyl-3,5-dihydroxyphenolate [ACD/IUPAC Name]
2-Benzoyl-3,5-dihydroxyphénolate [French] [ACD/IUPAC Name]
Methanone, phenyl(2,4,6-trihydroxyphenyl)-, ion(1-) [ACD/Index Name]
2,4,6-trihydroxybenzophenone
2,4,6-trihydroxybenzophenone(1-)
  • Miscellaneous

    • Chemical Class:

      A phenolate anion that is the conjugate base of 2,4,6-trihydroxybenzophenone, obtained by deprotonation of one of the two ortho-hydroxy groups. Major structure at pH 7.3 (according to Mar; vin v 6.2.0 .). ChEBI CHEBI:77765
      A phenolate anion that is the conjugate base of 2,4,6-trihydroxybenzophenone, obtained by deprotonation of one of the two ortho-hydroxy groups. Major structure at pH 7.3 (according to Marvin v 6.2.0.) . ChEBI CHEBI:77765

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

Density:
Boiling Point: 406.4±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 213.7±16.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 181.24
ACD/KOC (pH 5.5): 1428.22
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 56.30
ACD/KOC (pH 7.4): 443.67
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

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