| CAS Number | 1508439-94-8 |
| Catalog Number | AG01BFBS |
| Chemical Name | 1-[4-hydroxy-3-(propan-2-yl)phenyl]-2-methylpropan-1-one |
| IUPAC Name | 1-(4-hydroxy-3-propan-2-ylphenyl)-2-methylpropan-1-one |
| InChI | InChI=1S/C13H18O2/c1-8(2)11-7-10(5-6-12(11)14)13(15)9(3)4/h5-9,14H,1-4H3 |
| InChI Key | LRRSOFPQSXMDKB-UHFFFAOYSA-N |
| MDL Number | MFCD24076352 |
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.2808 |
| SMILES | CC(C(C1=CC(C(C)C)=C(O)C=C1)=O)C |
| Synonyms | 1-[4-hydroxy-3-(propan-2-yl)phenyl]-2-methylpropan-1-one,
1508439-94-8,
ZINC88120903,
AKOS019823158,
NE17383,
Z1889799672,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.285g/mol |
| Monoisotopic Mass | 206.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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