| CAS Number | 133578-40-2 |
| Catalog Number | AG019QBS(AGN-PC-07Y3K9) |
| Chemical Name | methyl 4-acetyl-2-methyl-5-oxohexanoate |
| IUPAC Name | methyl 4-acetyl-2-methyl-5-oxohexanoate |
| InChI | InChI=1S/C10H16O4/c1-6(10(13)14-4)5-9(7(2)11)8(3)12/h6,9H,5H2,1-4H3 |
| InChI Key | DIIPTRHCRHVEEI-UHFFFAOYSA-N |
| MDL Number | MFCD29763484 |
| Molecular Formula | C10H16O4 |
| Molecular Weight | 200.2316 |
| SMILES | COC(C(CC(C(C)=O)C(C)=O)C)=O |
| Synonyms | methyl 4-acetyl-2-methyl-5-oxohexanoate,
133578-40-2,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.234g/mol |
| Monoisotopic Mass | 200.105g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number