6-Methoxycoumarin
PubChem CID: 11240776
Connections displayed (default: 10).
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| Compound Synonyms | 6-methoxycoumarin, 17372-53-1, 6-methoxy-2H-chromen-2-one, 6-methoxychromen-2-one, MFCD00016707, CHEMBL496547, DTXSID00459751, SCHEMBL1108372, DTXCID10410570, CHEBI:178005, 2H-1-Benzopyran-2-one,6-methoxy-, BDBM50613943, AKOS006346189, FM66883, SY300566, TS-02433, DB-081512, CS-0324191, AR-683/40724488 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C10H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VKVCJIMMVPXDQD-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.316 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.659 |
| Compound Name | 6-Methoxycoumarin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 176.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 176.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 176.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5551909692307688 |
| Inchi | InChI=1S/C10H8O3/c1-12-8-3-4-9-7(6-8)2-5-10(11)13-9/h2-6H,1H3 |
| Smiles | COC1=CC2=C(C=C1)OC(=O)C=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
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FOUND_INto/from Angelica Furcijuga (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Angelica Genuflexa (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
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