ChemSpider 2D Image | 1,3-Dihydroxy-6-methoxy-2-methyl-9,10-anthraquinone | C16H12O5

1,3-Dihydroxy-6-methoxy-2-methyl-9,10-anthraquinone

  • Molecular FormulaC16H12O5
  • Average mass284.263 Da
  • Monoisotopic mass284.068481 Da
  • ChemSpider ID30786440

More details:

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

1,3-Dihydroxy-6-methoxy-2-methyl-9,10-anthracenedione
1,3-Dihydroxy-6-methoxy-2-methyl-9,10-anthrachinon [German] [ACD/IUPAC Name]
1,3-Dihydroxy-6-methoxy-2-methyl-9,10-anthraquinone [ACD/IUPAC Name]
1,3-Dihydroxy-6-méthoxy-2-méthyl-9,10-anthraquinone [French] [ACD/IUPAC Name]
1338588-98-9 [RN]
9,10-Anthracenedione, 1,3-dihydroxy-6-methoxy-2-methyl- [ACD/Index Name]
1,3-dihydroxy-6-methoxy-2-methylanthracene-9,10-dione
  • Miscellaneous

    • Chemical Class:

      A member of the class of hydroxyanthraquinones that is 9,10-anthraquinone substituted by hydroxy groups at positions 1 and 3, a methyl group at position 2 and a methoxy group at position 6. It has bee n isolated from the roots of <ital>Rubia yunnanensis</ital>. ChEBI CHEBI:69512
      A member of the class of hydroxyanthraquinones that is 9,10-anthraquinone substituted by hydroxy groups at positions 1 and 3, a methyl group at position 2 and a methoxy group at position 6. It has bee n isolated from the roots of Rubia yunnanensis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69512, CHEBI:69512

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

Density: 1.4±0.1 g/cm3
Boiling Point: 571.4±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 219.7±20.6 °C
Index of Refraction: 1.678
Molar Refractivity: 73.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 497.19
ACD/KOC (pH 5.5): 2893.90
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 58.69
ACD/KOC (pH 7.4): 341.63
Polar Surface Area: 84 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 196.2±3.0 cm3

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