ChemSpider 2D Image | 5,7-Dihydroxy-2-{3-hydroxy-4-[(~13~C,~2~H_3_)methyloxy]phenyl}-4H-chromen-4-one | C1513CH9D3O6


  • Molecular FormulaC1513CH9D3O6
  • Average mass304.274 Da
  • Monoisotopic mass304.085571 Da
  • ChemSpider ID107437775
  • Non-standard isotope - Non-standard isotope

More details:

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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[3-hydroxy-4-(methyl-13C-d3-oxy)phenyl]- [ACD/Index Name]
5,7-Dihydroxy-2-{3-hydroxy-4-[(13C,2H3)methyloxy]phenyl}-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-2-{3-hydroxy-4-[(13C,2H3)methyloxy]phenyl}-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-2-{3-hydroxy-4-[(13C,2H3)méthyloxy]phényl}-4H-chromén-4-one [French] [ACD/IUPAC Name]
1261394-22-2 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 72.8±3.0 dyne/cm
Molar Volume: 198.6±3.0 cm3

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