2,7-Dihydroxyxanthen-9-one
PubChem CID: 2836049
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| Compound Synonyms | 2,7-dihydroxyxanthone, 64632-72-0, 2,7-dihydroxyxanthen-9-one, 2,7-dihydroxy-9H-xanthen-9-one, 9H-Xanthen-9-one, 2,7-dihydroxy-, 2,7-di-hydroxyxanthone, Cambridge id 5235224, CHEMBL448874, SCHEMBL2161295, PCA63272, STK987618, AKOS001029606, SR-01000200084, SR-01000200084-1 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,7-dihydroxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C13H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JXMFQSCZNDSWSX-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.477 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.465 |
| Compound Name | 2,7-Dihydroxyxanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 228.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.628270364705882 |
| Inchi | InChI=1S/C13H8O4/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11/h1-6,14-15H |
| Smiles | C1=CC2=C(C=C1O)C(=O)C3=C(O2)C=CC(=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Mangostana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Garcinia Oblongifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients