ChemSpider 2D Image | 4,5-Dihydroxy-7-methyl-9,10-dioxo-9,10-dihydro-2-anthracenolate | C15H9O5

4,5-Dihydroxy-7-methyl-9,10-dioxo-9,10-dihydro-2-anthracenolate

  • Molecular FormulaC15H9O5
  • Average mass269.229 Da
  • Monoisotopic mass269.045532 Da
  • ChemSpider ID24785348

  • Charge - Charge

More details:

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

4,5-Dihydroxy-7-methyl-9,10-dioxo-9,10-dihydro-2-anthracenolat [German] [ACD/IUPAC Name]
4,5-Dihydroxy-7-methyl-9,10-dioxo-9,10-dihydro-2-anthracenolate [ACD/IUPAC Name]
4,5-Dihydroxy-7-méthyl-9,10-dioxo-9,10-dihydro-2-anthracénolate [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl-, ion(1-) [ACD/Index Name]
4,5-dihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-2-olate
Emodin [Trade name]
emodin(1-)
Emodol*3-Methyl-1,6,8-trihydroxyanthraquinone*6-Methyl-1,3,8-trihydroxyanthraquinone*1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone*1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione
  • Miscellaneous

    • Chemical Class:

      A phenolate anion that is the conjugate base of emodin, obtained by deprotonation of the phenolic hydroxy group at position 2; major species at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77659

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 586.9±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 322.8±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 360.24
ACD/KOC (pH 5.5): 2186.62
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 4.38
ACD/KOC (pH 7.4): 26.60
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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