Micropyrone
PubChem CID: 54682570
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | micropyrone, ent-micropyrone, CHEMBL390585, 934397-09-8 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | IJPRHCNTDLDONG-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 18.0 |
| Compound Name | Micropyrone |
| Exact Mass | 252.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.136 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 443.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 252.31 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-3,5-dimethyl-6-(4-methyl-3-oxohexan-2-yl)pyran-2-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C14H20O4/c1-6-7(2)11(15)8(3)13-9(4)12(16)10(5)14(17)18-13/h7-8,16H,6H2,1-5H3 |
| Smiles | CCC(C)C(=O)C(C)C1=C(C(=C(C(=O)O1)C)O)C |
| Xlogp | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C14H20O4 |
- 1. Outgoing r'ship
FOUND_INto/from Helichrysum Italicum (Plant) Rel Props:Source_db:npass_chem_all