| CAS Number | 64758-90-3 |
| Catalog Number | AG01B50C(AGN-PC-02WMZQ) |
| Chemical Name | 3-[4-(2-methylpropyl)phenyl]butan-2-one |
| IUPAC Name | 3-[4-(2-methylpropyl)phenyl]butan-2-one |
| InChI | InChI=1S/C14H20O/c1-10(2)9-13-5-7-14(8-6-13)11(3)12(4)15/h5-8,10-11H,9H2,1-4H3 |
| InChI Key | VOYZJYGIHFRNAG-UHFFFAOYSA-N |
| MDL Number | MFCD21775908 |
| Molecular Formula | C14H20O |
| Molecular Weight | 204.3080 |
| SMILES | CC(CC1=CC=C(C(C(C)=O)C)C=C1)C |
| Synonyms | 3-[4-(2-Methylpropyl)phenyl]butan-2-one,
64758-90-3,
SCHEMBL4408253,
CHEMBL4101450,
CTK1I4325,
DTXSID50609183,
AKOS015781994,
2-Butanone, 3-[4-(2-methylpropyl)phenyl]-,
Z2509351276,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.313g/mol |
| Monoisotopic Mass | 204.151g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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