ChemSpider 2D Image | STELLATIN (C12) | C12H12O5

STELLATIN (C12)

  • Molecular FormulaC12H12O5
  • Average mass236.221 Da
  • Monoisotopic mass236.068466 Da
  • ChemSpider ID26384687

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-6,7-dimethoxy-2-methyl- [ACD/Index Name]
5-Hydroxy-6,7-dimethoxy-2-methyl-4H-chromen-4-on [German] [ACD/IUPAC Name]
5-Hydroxy-6,7-dimethoxy-2-methyl-4H-chromen-4-one [ACD/IUPAC Name]
5-Hydroxy-6,7-diméthoxy-2-méthyl-4H-chromén-4-one [French] [ACD/IUPAC Name]
62995-11-3 [RN]
6-Methoxyeugenin
STELLATIN (C12)
5-hydroxy-6,7-dimethoxy-2-methylchromone
stellatin

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

816P6563TH [DBID]
UNII:816P6563TH [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of chromones that is chromone substituted by a hydroxy group at position 5, a methyl group at position 2 and methoxy groups at positions 6 and 7 respectively. It has been isolate d from <ital>Pisonia aculeata</ital>. ChEBI CHEBI:67369
      A member of the class of chromones that is chromone substituted by a hydroxy group at position 5, a methyl group at position 2 and methoxy groups at positions 6 and 7 respectively. It has been isolate d from Pisonia aculeata. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67369, CHEBI:67369

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

Density: 1.3±0.1 g/cm3
Boiling Point: 413.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 162.4±22.2 °C
Index of Refraction: 1.572
Molar Refractivity: 59.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 14.90
ACD/KOC (pH 5.5): 232.57
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 23.80
Polar Surface Area: 65 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 181.5±3.0 cm3

Click to predict properties on the Chemicalize site


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