| CAS Number | 865360-62-9 |
| Catalog Number | AG00IE40(AGN-PC-0OKG7J) |
| Chemical Name | 4-(4-Tetrahydropyranyl)phenylboronic acid |
| IUPAC Name | [4-(oxan-4-yl)phenyl]boronic acid |
| InChI | InChI=1S/C11H15BO3/c13-12(14)11-3-1-9(2-4-11)10-5-7-15-8-6-10/h1-4,10,13-14H,5-8H2 |
| InChI Key | MYUSWMGNVKBANV-UHFFFAOYSA-N |
| MDL Number | MFCD24448963 |
| Molecular Formula | C11H15BO3 |
| Molecular Weight | 206.0460 |
| SMILES | OB(O)C1=CC=C(C=C1)C1CCOCC1 |
| Synonyms | 4-(4-Tetrahydropyranyl)phenylboronic acid,
865360-62-9,
Boronic acid, B-[4-(tetrahydro-2H-pyran-4-yl)phenyl]-,
ZINC218921501,
AS-48732,
(4-(tetrahydro-2h-pyran-4-yl)phenyl)boronic acid,
Boronic acid, [4-(tetrahydro-2H-pyran-4-yl)phenyl]-,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.048g/mol |
| Monoisotopic Mass | 206.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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