| CAS Number | 1256358-76-5 |
| Catalog Number | AG009WVC(AGN-PC-0WA7OL) |
| Chemical Name | 3-(Tetrahydropyran-4-yloxymethy)phenylboronic acid |
| IUPAC Name | [3-(oxan-4-yloxymethyl)phenyl]boronic acid |
| InChI | InChI=1S/C12H17BO4/c14-13(15)11-3-1-2-10(8-11)9-17-12-4-6-16-7-5-12/h1-3,8,12,14-15H,4-7,9H2 |
| InChI Key | CXCOUBKIJBWKHS-UHFFFAOYSA-N |
| MDL Number | MFCD16198628 |
| Molecular Formula | C12H17BO4 |
| Molecular Weight | 236.0720 |
| SMILES | OB(c1cccc(c1)COC1CCOCC1)O |
| Synonyms | 3-(Tetrahydropyran-4-yloxymethy)phenylboronic acid,
1256358-76-5,
(3-(((Tetrahydro-2H-pyran-4-yl)oxy)methyl)phenyl)boronic acid,
MFCD16198628,
AKOS005973219,
ZINC169926362,
BBV-32943134,
OR361631,
X1994,
3-(Tetrahydropyran-4-yloxymethyl)phenylboronic acid,
C12H17BO4,
[3-(oxan-4-yloxymethyl)phenyl]boronic acid,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.074g/mol |
| Monoisotopic Mass | 236.122g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number