| CAS Number | 2096332-77-1 |
| Catalog Number | AG01EHMK |
| Chemical Name | 4-Butanoylphenylboronic acid, pinacol ester |
| IUPAC Name | 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butan-1-one |
| InChI | InChI=1S/C16H23BO3/c1-6-7-14(18)12-8-10-13(11-9-12)17-19-15(2,3)16(4,5)20-17/h8-11H,6-7H2,1-5H3 |
| InChI Key | KXACZLKHSCCLGY-UHFFFAOYSA-N |
| MDL Number | MFCD21332948 |
| Molecular Formula | C16H23BO3 |
| Molecular Weight | 274.1630 |
| SMILES | CCCC(C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)=O |
| Synonyms | 4-Butanoylphenylboronic acid, pinacol ester,
2096332-77-1,
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)butan-1-one,
MFCD21332948,
ZINC169964879,
B-9355,
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| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.167g/mol |
| Monoisotopic Mass | 274.174g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number