2,6-Diacetyl-3-hydroxypyran-4-one
PubChem CID: 5319320
Connections displayed (default: 10).
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| Topological Polar Surface Area | 80.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 386.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-diacetyl-3-hydroxypyran-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C9H8O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LIVNCPMCQTZXRZ-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.965 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.44 |
| Compound Name | 2,6-Diacetyl-3-hydroxypyran-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 196.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.037 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 196.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.18242714285714307 |
| Inchi | InChI=1S/C9H8O5/c1-4(10)7-3-6(12)8(13)9(14-7)5(2)11/h3,13H,1-2H3 |
| Smiles | CC(=O)C1=CC(=O)C(=C(O1)C(=O)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Commutatum (Plant) Rel Props:Source_db:cmaup_ingredients