5-Hydroxy-7-methoxycoumarin
PubChem CID: 5748603
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| Compound Synonyms | 5-Hydroxy-7-methoxycoumarin, 23053-61-4, DTXSID20177622, DTXCID80100113 |
|---|---|
| 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-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C10H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CPPAWCQANCLZEO-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.216 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.487 |
| Compound Name | 5-Hydroxy-7-methoxycoumarin |
| 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 | -1.3932254285714283 |
| Inchi | InChI=1S/C10H8O4/c1-13-6-4-8(11)7-2-3-10(12)14-9(7)5-6/h2-5,11H,1H3 |
| Smiles | COC1=CC(=C2C=CC(=O)OC2=C1)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lobelia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients