9-methoxy-6H-[1,3]dioxolo[4,5-g]chromen-6-one
PubChem CID: 11310556
Connections displayed (default: 10).
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| Compound Synonyms | 5-methoxy-6,7-methylenedioxycoumarin, 9-methoxy-[1,3]dioxolo[4,5-g]chromen-6-one, 9-methoxy-6H-[1,3]dioxolo[4,5-g]chromen-6-one, CHEMBL596222 |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 9-methoxy-[1,3]dioxolo[4,5-g]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C11H8O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JMFRFNCBVYLQJY-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.475 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.498 |
| Compound Name | 9-methoxy-6H-[1,3]dioxolo[4,5-g]chromen-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.037 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 220.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.601616 |
| Inchi | InChI=1S/C11H8O5/c1-13-10-6-2-3-9(12)16-7(6)4-8-11(10)15-5-14-8/h2-4H,5H2,1H3 |
| Smiles | COC1=C2C=CC(=O)OC2=CC3=C1OCO3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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