Catalog Number |
ACM529442 |
CAS |
529-44-2 |
Structure |
![{[CurrentData.Name]}](https://resource.alfa-chemistry.com/structure/529-44-2.gif) |
IUPAC Name |
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
Synonyms |
3,3,4,4,5,7-Hexahydro-2-phenyl-4H-chromen-4-one |
Molecular Weight |
318.24 |
Molecular Formula |
C15H10O8 |
Canonical SMILES |
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
InChI |
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H |
InChI Key |
IKMDFBPHZNJCSN-UHFFFAOYSA-N |
Boiling Point |
377.41 °C |
Melting Point |
>300 °C(lit.) |
Flash Point |
285.9 °C |
Purity |
98% |
Density |
1.4222 g/cm³ |
Solubility |
Sparingly soluble in boiling water, soluble in alcohol, practically insoluble in chloroform, acetic acid |
Appearance |
Crystalline |
Storage |
2-8 °C |
Complexity |
506 |
Exact Mass |
318.03756727 |
Log P |
2.11 |
Monoisotopic Mass |
318.03756727 |
PSA |
151.59000 |
Refractive Index |
1.4395 |
Stability |
Stable under normal shipping and handling conditions. |
Topological Polar Surface Area |
148 Ų |
Vapor Pressure |
0.0±2.6 mmHg at 25°C |