| CAS Number | 70639-76-8 |
| Catalog Number | AG0036R3(AGN-PC-03E3X3) |
| Chemical Name | 4'-Ethyl-2-methylacrylophenone |
| IUPAC Name | 1-(4-ethylphenyl)-2-methylprop-2-en-1-one |
| InChI | InChI=1S/C12H14O/c1-4-10-5-7-11(8-6-10)12(13)9(2)3/h5-8H,2,4H2,1,3H3 |
| InChI Key | XIJQQKCHWOSTBK-UHFFFAOYSA-N |
| MDL Number | MFCD20920933 |
| Molecular Formula | C12H14O |
| Molecular Weight | 174.2390 |
| SMILES | C(C)C1=CC=C(C=C1)C(C(=C)C)=O |
| Synonyms | 70639-76-8,
1-(4-Ethylphenyl)-2-methylprop-2-en-1-one,
2-Propen-1-one, 1-(4-ethylphenyl)-2-methyl-,
4'-Ethyl-2-methylacrylophenone,
SCHEMBL9850596,
CTK2G2909,
DTXSID00616660,
4'-Ethyl-alpha-methylacrylophenone,
AKOS017741346,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.243g/mol |
| Monoisotopic Mass | 174.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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