| CAS Number | 60561-82-2 |
| Catalog Number | AG01B8OF(AGN-PC-00N417) |
| Chemical Name | 1-(4-Tert-butylphenyl)-2-methylpropan-1-one |
| IUPAC Name | 1-(4-tert-butylphenyl)-2-methylpropan-1-one |
| InChI | InChI=1S/C14H20O/c1-10(2)13(15)11-6-8-12(9-7-11)14(3,4)5/h6-10H,1-5H3 |
| InChI Key | UYSVXJZQVNOLNB-UHFFFAOYSA-N |
| MDL Number | MFCD09891210 |
| Molecular Formula | C14H20O |
| Molecular Weight | 204.3080 |
| SMILES | CC(C(C1=CC=C(C(C)(C)C)C=C1)=O)C |
| Synonyms | 4'-tert-Butyl-2-methylpropiophenone,
60561-82-2,
1-(4-tert-butylphenyl)-2-methylpropan-1-one,
SCHEMBL3232491,
UYSVXJZQVNOLNB-UHFFFAOYSA-N,
ZINC11631527,
AKOS009163883,
4'-tert-Butyl-alpha-methylpropiophenone,
Z2010052069,
|
| Complexity | 214 |
| 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 | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number