ChemSpider 2D Image | (3-Acetoacetyl-4,5-dihydroxy-10-oxo-9,10-dihydro-2-anthracenyl)acetate | C20H15O7

(3-Acetoacetyl-4,5-dihydroxy-10-oxo-9,10-dihydro-2-anthracenyl)acetate

  • Molecular FormulaC20H15O7
  • Average mass367.329 Da
  • Monoisotopic mass367.082336 Da
  • ChemSpider ID34999541

  • Charge - Charge

More details:

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

(3-Acetoacetyl-4,5-dihydroxy-10-oxo-9,10-dihydro-2-anthracenyl)acetat [German] [ACD/IUPAC Name]
(3-Acetoacetyl-4,5-dihydroxy-10-oxo-9,10-dihydro-2-anthracenyl)acetate [ACD/IUPAC Name]
(3-Acetoacetyl-4,5-dihydroxy-10-oxo-9,10-dihydro-2-anthracényl)acétate [French] [ACD/IUPAC Name]
2-Anthraceneacetic acid, 3-(1,3-dioxobutyl)-9,10-dihydro-4,5-dihydroxy-10-oxo-, ion(1-) [ACD/Index Name]
[4,5-dihydroxy-10-oxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate
12-deoxynogalonate(1-)
deoxynogalonate
  • Miscellaneous

    • Chemical Class:

      An oxo monocarboxylic acid anion that is the conjugate base of 12-deoxynogalonic acid, obtained by deprotonation of the carboxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2 .0.). ChEBI CHEBI:84900

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

Density:
Boiling Point: 696.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 388.7±28.0 °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: 4.78
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 23.02
ACD/KOC (pH 5.5): 96.22
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability:
Surface Tension:
Molar Volume:

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