| CAS Number | 104174-28-9 |
| Catalog Number | AG01A6BP(AGN-PC-002YS4) |
| Chemical Name | 1-(4-Methoxy-2,5-dimethylphenyl)ethanone |
| IUPAC Name | 1-(4-methoxy-2,5-dimethylphenyl)ethanone |
| InChI | InChI=1S/C11H14O2/c1-7-6-11(13-4)8(2)5-10(7)9(3)12/h5-6H,1-4H3 |
| InChI Key | HYYOEBPABVJBNX-UHFFFAOYSA-N |
| MDL Number | MFCD11553435 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | c1(c(cc(c(c1)C)OC)C)C(=O)C |
| Synonyms | 1-(4-methoxy-2,5-dimethylphenyl)ethanone,
104174-28-9,
1-(4-methoxy-2,5-dimethylphenyl)ethan-1-one,
4'-Methoxy-2',5'-dimethylacetophenone,
SCHEMBL1753958,
HYYOEBPABVJBNX-UHFFFAOYSA-N,
ZINC34406701,
AKOS006323913,
NE18573,
2',5'-Dimethyl-4'-methoxyacetophenone,
1-(4-methoxy-2,5-dimethyl-phenyl)-ethanone,
F9994-5224,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number