4-Hydroxy-6,7-dimethoxy-2H-1-benzopyran-2-one
PubChem CID: 54705797
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| Compound Synonyms | 39753-51-0, 4-hydroxy-6,7-dimethoxy-2H-chromen-2-one, DTXSID00716073, 4-Hydroxy-6,7-dimethoxy-2H-1-benzopyran-2-one, SCHEMBL5337318, DTXCID70666819 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 311.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-6,7-dimethoxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C11H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FQUQRXCETLIWTN-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.196 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.299 |
| Compound Name | 4-Hydroxy-6,7-dimethoxy-2H-1-benzopyran-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 222.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6930151999999996 |
| Inchi | InChI=1S/C11H10O5/c1-14-9-3-6-7(12)4-11(13)16-8(6)5-10(9)15-2/h3-5,12H,1-2H3 |
| Smiles | COC1=C(C=C2C(=C1)C(=CC(=O)O2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pueraria Montana (Plant) Rel Props:Source_db:cmaup_ingredients