Gentisin

Chemical Information
Gentisin is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 7 and a methoxy group at position 3. It has a role as a plant metabolite. It is a polyphenol, an aromatic ether and a member of xanthones.
| CAS Number | 437-50-3 |
| PubChem CID | 5281636 |
| IUPAC Name | 1,7-dihydroxy-3-methoxyxanthen-9-one |
| Molecular Formula | C14H10O5 |
| Molecular Weight | 258.23 |
| XLogP | 2.8 |
| Topological Polar Surface Area | 76 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 358 |
| Property | Value |
|---|---|
| Molecular Weight | 258.23 |
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 258.05282342 |
| Monoisotopic Mass | 258.05282342 |
| Topological Polar Surface Area | 76 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 358 |
| 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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