2,3-Dimethoxy-5-(2-oxopropyl)cyclohexa-2,4-dien-1-one
PubChem CID: 162824536
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 52.6 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethoxy-5-(2-oxopropyl)cyclohexa-2,4-dien-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Molecular Formula | C11H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FKFOMHMBWKFKBR-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -1.409 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.557 |
| Compound Name | 2,3-Dimethoxy-5-(2-oxopropyl)cyclohexa-2,4-dien-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 210.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 210.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9235197999999996 |
| Inchi | InChI=1S/C11H14O4/c1-7(12)4-8-5-9(13)11(15-3)10(6-8)14-2/h6H,4-5H2,1-3H3 |
| Smiles | CC(=O)CC1=CC(=C(C(=O)C1)OC)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients