6-hydroxy-7-methyl-2H-chromen-2-one
PubChem CID: 850207
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| Compound Synonyms | 6-hydroxy-7-methyl-2H-chromen-2-one, 6-hydroxy-7-methylchromen-2-one, 6-Hydroxy-7-methylesculetin, CHEMBL457962, CHEBI:229030, AKOS006279207, AP-383/40724447 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 247.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 6-hydroxy-7-methylchromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JSKYRABEGKTTPD-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.261 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.492 |
| Compound Name | 6-hydroxy-7-methyl-2H-chromen-2-one |
| 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 | -1.646390969230769 |
| Inchi | InChI=1S/C10H8O3/c1-6-4-9-7(5-8(6)11)2-3-10(12)13-9/h2-5,11H,1H3 |
| Smiles | CC1=CC2=C(C=CC(=O)O2)C=C1O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaries (Plant) Rel Props:Source_db:npass_chem_all