8-Hydroxy-6-methoxy-3-methylisochromen-1-one
PubChem CID: 11127420
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 8-hydroxy-6-methoxy-3-methylisocoumarin, 1702-86-9, 8-hydroxy-6-methoxy-3-methylisochromen-1-one, SCHEMBL5079030, CHEBI:217431, 6-Methoxy-3-methyl-8-hydroxy-1H-2-benzopyran-1-one |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-6-methoxy-3-methylisochromen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C11H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BZMCHKXIXROMSY-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.452 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.257 |
| Compound Name | 8-Hydroxy-6-methoxy-3-methylisochromen-1-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 | -2.364754733333333 |
| Inchi | InChI=1S/C11H10O4/c1-6-3-7-4-8(14-2)5-9(12)10(7)11(13)15-6/h3-5,12H,1-2H3 |
| Smiles | CC1=CC2=CC(=CC(=C2C(=O)O1)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Gilvescens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Datura Stramonium (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Oenanthe Fistulosa (Plant) Rel Props:Source_db:cmaup_ingredients