ChemSpider 2D Image | 3-(1,3-Benzodioxol-5-yl)-4-oxo-4H-chromen-7-olate | C16H9O5

3-(1,3-Benzodioxol-5-yl)-4-oxo-4H-chromen-7-olate

  • Molecular FormulaC16H9O5
  • Average mass281.240 Da
  • Monoisotopic mass281.045532 Da
  • ChemSpider ID31150538

  • Charge - Charge

More details:

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

3-(1,3-Benzodioxol-5-yl)-4-oxo-4H-chromen-7-olat [German] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-4-oxo-4H-chromen-7-olate [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-4-oxo-4H-chromén-7-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(1,3-benzodioxol-5-yl)-7-hydroxy-, ion(1-) [ACD/Index Name]
Pseudobaptigenin [Wiki]
pseudobaptigenin (OK)
pseudobaptigenin(1-)
  • Miscellaneous

    • Chemical Class:

      A flavonoid oxoanion that is the conjugate base of pseudobaptigenin, obtained by deprotonation of the hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:78327

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

Density:
Boiling Point: 510.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 197.8±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 85.73
ACD/KOC (pH 5.5): 833.42
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 22.57
ACD/KOC (pH 7.4): 219.45
Polar Surface Area: 68 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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