| CAS Number | 89050-76-0 |
| Catalog Number | AG0042DK(AGN-PC-00LHQ1) |
| Chemical Name | 3,3,5,5-tetramethyloxan-4-one |
| IUPAC Name | 3,3,5,5-tetramethyloxan-4-one |
| InChI | InChI=1S/C9H16O2/c1-8(2)5-11-6-9(3,4)7(8)10/h5-6H2,1-4H3 |
| InChI Key | DZOZPISGPMTMLM-UHFFFAOYSA-N |
| MDL Number | MFCD21648548 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.2221 |
| SMILES | CC1(COCC(C1=O)(C)C)C |
| Synonyms | 3,3,5,5-Tetramethyloxan-4-one,
89050-76-0,
4H-Pyran-4-one, tetrahydro-3,3,5,5-tetramethyl-,
ACMC-20lh0l,
SCHEMBL9538530,
CTK3A2328,
DTXSID00528310,
3,3,5,5-tetramethyldihydro-2H-pyran-4(3H)-one,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.225g/mol |
| Monoisotopic Mass | 156.115g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number