| CAS Number | 36019-62-2 |
| Catalog Number | AG01B4XG(AGN-PC-0O9B8M) |
| Chemical Name | 3,5-Dimethyl-3,4-dihydro-2H-pyran-4-one |
| IUPAC Name | 3,5-dimethyl-2,3-dihydropyran-4-one |
| InChI | InChI=1S/C7H10O2/c1-5-3-9-4-6(2)7(5)8/h3,6H,4H2,1-2H3 |
| InChI Key | LXYQBTWDDNQNMX-UHFFFAOYSA-N |
| MDL Number | MFCD24690684 |
| Molecular Formula | C7H10O2 |
| Molecular Weight | 126.1531 |
| SMILES | CC1C(=O)C(C)=COC1 |
| Synonyms | 3,5-dimethyl-3,4-dihydro-2H-pyran-4-one,
36019-62-2,
3,5-dimethyl-2H-pyran-4(3H)-one,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.155g/mol |
| Monoisotopic Mass | 126.068g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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