7-Hydroxy-3,4-dimethoxy-5-methylchromen-2-one
PubChem CID: 162974845
Connections displayed (default: 10).
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| Topological Polar Surface Area | 65.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 349.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3,4-dimethoxy-5-methylchromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C12H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AXLQMGBJLXYPHW-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.161 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.85 |
| Compound Name | 7-Hydroxy-3,4-dimethoxy-5-methylchromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 236.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2441767176470586 |
| Inchi | InChI=1S/C12H12O5/c1-6-4-7(13)5-8-9(6)10(15-2)11(16-3)12(14)17-8/h4-5,13H,1-3H3 |
| Smiles | CC1=CC(=CC2=C1C(=C(C(=O)O2)OC)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocaulon Polystachyum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sideritis Argosphacelus (Plant) Rel Props:Source_db:cmaup_ingredients