4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-


Chemical Name: 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-
CAS Number: 520-34-3
Product Number: AG003POR(AGN-PC-07Y4JT)
Synonyms:
MDL No:
Molecular Formula: C16H12O6
Molecular Weight: 300.2629

Identification/Properties


Properties
MP:
256-258 °C
BP:
576.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Solubility:
DMSO: soluble1mg/mL, clear, light yellow to yellow
Computed Properties
Molecular Weight:
300.266g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
300.063g/mol
Monoisotopic Mass:
300.063g/mol
Topological Polar Surface Area:
96.2A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
462
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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