| CAS Number | 288571-29-9 |
| Catalog Number | AG01BKD3 |
| Chemical Name | 2-methoxy-1-(2,4,6-trimethylphenyl)ethan-1-one |
| IUPAC Name | 2-methoxy-1-(2,4,6-trimethylphenyl)ethanone |
| InChI | InChI=1S/C12H16O2/c1-8-5-9(2)12(10(3)6-8)11(13)7-14-4/h5-6H,7H2,1-4H3 |
| InChI Key | BPCKAYGFVGQERV-UHFFFAOYSA-N |
| MDL Number | MFCD11556162 |
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.2542 |
| SMILES | COCC(C1=C(C)C=C(C)C=C1C)=O |
| Synonyms | 2-methoxy-1-(2,4,6-trimethylphenyl)-ethanone,
288571-29-9,
methoxymethylformylmesitylene,
ZINC36193589,
2',4',6'-Trimethyl-alpha-methoxyacetophenone,
2-methoxy-1-(2,4,6-trimethylphenyl)ethan-1-one,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.258g/mol |
| Monoisotopic Mass | 192.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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