5-Hydroxy-7-methoxychromone
PubChem CID: 21853367
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| Compound Synonyms | 5-Hydroxy-7-methoxychromone, 5-Hydroxy-7-methoxy-4H-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 261.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-7-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C10H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RQTUIOAYKIUNKJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.469 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.74 |
| Compound Name | 5-Hydroxy-7-methoxychromone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 192.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 192.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7397254285714285 |
| Inchi | InChI=1S/C10H8O4/c1-13-6-4-8(12)10-7(11)2-3-14-9(10)5-6/h2-5,12H,1H3 |
| Smiles | COC1=CC(=C2C(=O)C=COC2=C1)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adesmia Boronioides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Croton Ruizianus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Oxytropis Muricata (Plant) Rel Props:Source_db:cmaup_ingredients