ChemSpider 2D Image | 1,8-Dihydroxy-6-methyl-9,10-dioxo-9,10-dihydro-2-anthracenolate | C15H9O5

1,8-Dihydroxy-6-methyl-9,10-dioxo-9,10-dihydro-2-anthracenolate

  • Molecular FormulaC15H9O5
  • Average mass269.229 Da
  • Monoisotopic mass269.045532 Da
  • ChemSpider ID128919680

  • Charge - Charge

More details:

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

1,8-Dihydroxy-6-methyl-9,10-dioxo-9,10-dihydro-2-anthracenolat [German] [ACD/IUPAC Name]
1,8-Dihydroxy-6-methyl-9,10-dioxo-9,10-dihydro-2-anthracenolate [ACD/IUPAC Name]
1,8-Dihydroxy-6-méthyl-9,10-dioxo-9,10-dihydro-2-anthracénolate [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,2,8-trihydroxy-6-methyl-, ion(1-) [ACD/Index Name]
1,8-dihydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-2-olate
nataloe emodin
nataloe-emodin(1-)
  • Miscellaneous

    • Chemical Class:

      A phenolate anion that is the conjugate base of nataloe-emodin, obtained by deprotonation of the phenolic hydroxy group at position 2. Major species at pH 7.3. ChEBI CHEBI:152055

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

Density:
Boiling Point: 503.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.3±26.6 °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: 5.15
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 454.26
ACD/KOC (pH 5.5): 2571.11
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 6.22
ACD/KOC (pH 7.4): 35.22
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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