6-Ethyl-4-methoxy-2-pyranone
PubChem CID: 11116262
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| Compound Synonyms | 6-ETHYL-4-METHOXY-2-PYRANONE, 106950-13-4, 6-ethyl-4-methoxy-pyran-2-one, 6-Ethyl-4-methoxy-2H-pyran-2-one, 6-Ethyl-4-methoxypyran-2-one, MFCD09991688, DTXSID60455693, 4-methoxy-6-ethyl-2-pyrone, SCHEMBL1264589, DTXCID90406512, CRYDMVQAZDVQSO-UHFFFAOYSA-N, AKOS006313525, AS-59339, DA-18336, SY240116, CS-0152532 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 225.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-ethyl-4-methoxypyran-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C8H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CRYDMVQAZDVQSO-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Logs | -1.465 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.31 |
| Compound Name | 6-Ethyl-4-methoxy-2-pyranone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 154.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.2232593636363634 |
| Inchi | InChI=1S/C8H10O3/c1-3-6-4-7(10-2)5-8(9)11-6/h4-5H,3H2,1-2H3 |
| Smiles | CCC1=CC(=CC(=O)O1)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:cmaup_ingredients