| CAS Number | 1609119-82-5 |
| Catalog Number | AG01EL1I |
| Chemical Name | 3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutan-1-one |
| IUPAC Name | 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutan-1-one |
| InChI | InChI=1S/C16H21BO3/c1-15(2)16(3,4)20-17(19-15)13-7-5-11(6-8-13)12-9-14(18)10-12/h5-8,12H,9-10H2,1-4H3 |
| InChI Key | GDQNMLOVZSWLIZ-UHFFFAOYSA-N |
| MDL Number | MFCD31457248 |
| Molecular Formula | C16H21BO3 |
| Molecular Weight | 272.1471 |
| SMILES | CC1(OB(OC1(C)C)C1=CC=C(C=C1)C1CC(C1)=O)C |
| Synonyms | 3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutan-1-one,
1609119-82-5,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.151g/mol |
| Monoisotopic Mass | 272.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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