ChemSpider 2D Image | 6-Methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-oxo-4H-chromen-7-olate | C18H13O7

6-Methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-oxo-4H-chromen-7-olate

  • Molecular FormulaC18H13O7
  • Average mass341.292 Da
  • Monoisotopic mass341.066681 Da
  • ChemSpider ID34448876

  • Charge - Charge

More details:

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

4H-1-Benzopyran-4-one, 7-hydroxy-6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-, ion(1-) [ACD/Index Name]
6-Methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-oxo-4H-chromen-7-olat [German] [ACD/IUPAC Name]
6-Methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-oxo-4H-chromen-7-olate [ACD/IUPAC Name]
6-Méthoxy-3-(6-méthoxy-1,3-benzodioxol-5-yl)-4-oxo-4H-chromén-7-olate [French] [ACD/IUPAC Name]
dalpatein
dalpatein(1-)
  • Miscellaneous

    • Chemical Class:

      A flavonoid oxoanion that is the conjugate base of dalpatein, obtained by deprotonation of the 7-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:83856

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

Density:
Boiling Point: 570.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 212.1±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 64.98
ACD/KOC (pH 5.5): 681.49
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 14.24
ACD/KOC (pH 7.4): 149.32
Polar Surface Area: 86 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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