6,7-Dimethoxy-4H-1-benzopyran-4-one
PubChem CID: 21853370
Connections displayed (default: 10).
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| Compound Synonyms | 58511-89-0, 6,7-dimethoxychromen-4-one, 6,7-Dimethoxy-4H-1-benzopyran-4-one, 6,7-Dimethoxy-4H-chromen-4-one, 6,7-Dimethoxychromone, 6,7-Dimethoxychromon, SCHEMBL17237782, DTXSID00618785, DB-296409 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 274.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C11H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AVEFEKKVKSUABY-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.062 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.501 |
| Compound Name | 6,7-Dimethoxy-4H-1-benzopyran-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 206.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.580554733333333 |
| Inchi | InChI=1S/C11H10O4/c1-13-10-5-7-8(12)3-4-15-9(7)6-11(10)14-2/h3-6H,1-2H3 |
| Smiles | COC1=C(C=C2C(=C1)C(=O)C=CO2)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Amomum Muricarpum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Echinacea Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ephedra Minuta (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Portulaca Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients