5,6-Dihydroxy-7-methoxy-chromen-4-one
PubChem CID: 71590741
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5,6-dihydroxy-7-methoxy-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,6-dihydroxy-7-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C10H8O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JANFUTOCHBHFRD-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.006 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.718 |
| Compound Name | 5,6-Dihydroxy-7-methoxy-chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.037 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 208.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.576881133333333 |
| Inchi | InChI=1S/C10H8O5/c1-14-7-4-6-8(10(13)9(7)12)5(11)2-3-15-6/h2-4,12-13H,1H3 |
| Smiles | COC1=C(C(=C2C(=O)C=COC2=C1)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hemerocallis Citrina (Plant) Rel Props:Source_db:cmaup_ingredients