| CAS Number | 1256358-78-7 |
| Catalog Number | AG009WVD(AGN-PC-0WQZAV) |
| Chemical Name | 4-(Tetrahydropyran-4-yloxymethy)phenylboronic acid |
| IUPAC Name | [4-(oxan-4-yloxymethyl)phenyl]boronic acid |
| InChI | InChI=1S/C12H17BO4/c14-13(15)11-3-1-10(2-4-11)9-17-12-5-7-16-8-6-12/h1-4,12,14-15H,5-9H2 |
| InChI Key | VTRVRDNLHSBEJT-UHFFFAOYSA-N |
| MDL Number | MFCD16198632 |
| Molecular Formula | C12H17BO4 |
| Molecular Weight | 236.0720 |
| SMILES | OB(c1ccc(cc1)COC1CCOCC1)O |
| Synonyms | 1256358-78-7,
4-(Tetrahydropyran-4-yloxymethy)phenylboronic acid,
4-(Tetrahydropyran-4-yloxymethyl)phenylboronic acid,
(4-(((Tetrahydro-2H-pyran-4-yl)oxy)methyl)phenyl)boronic acid,
MFCD16198632,
AKOS005973315,
ZINC169926369,
BBV-32943138,
OR361632,
X1996,
K-1874,
C12H17BO4,
[4-(oxan-4-yloxymethyl)phenyl]boronic acid,
|
| Complexity | 211 |
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number