Pratensein

Chemical Information
Pratensein is a member of the class of 7-hydroxyisoflavones in which isoflavone is substituted by hydroxy groups at the 5, 7, and 3' positions, and by a methoxy group at the 4' position. It is a member of 4'-methoxyisoflavones and a member of 7-hydroxyisoflavones. It is a conjugate acid of a pratensein(1-).
| CAS Number | 2284-31-3 |
| PubChem CID | 5281803 |
| IUPAC Name | 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one |
| Molecular Formula | C16H12O6 |
| Molecular Weight | 300.26 |
| XLogP | 2.6 |
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 462 |
| Property | Value |
|---|---|
| Molecular Weight | 300.26 |
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 300.06338810 |
| Monoisotopic Mass | 300.06338810 |
| Topological Polar Surface Area | 96.2 Ų |
| 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 |
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