| CAS Number | 1823104-80-8 |
| Catalog Number | AG01DLG5 |
| Chemical Name | (5-FORMYL-2-HYDROXYPHENYL)BORONIC ACID PINACOL ESTER |
| IUPAC Name | 4-hydroxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
| InChI | InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-9(8-15)5-6-11(10)16/h5-8,16H,1-4H3 |
| InChI Key | OKJQVOFTWMGSCJ-UHFFFAOYSA-N |
| MDL Number | MFCD16994393 |
| Molecular Formula | C13H17BO4 |
| Molecular Weight | 248.0827 |
| SMILES | OC1=C(C=C(C=O)C=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1823104-80-8,
(5-FORMYL-2-HYDROXYPHENYL)BORONIC ACID PINACOL ESTER,
4-HYDROXY-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZALDEHYDE,
MFCD16994393,
AKOS027425767,
ZINC206122715,
MB15566,
AS-43582,
4-Hydroxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzaldehyde,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.085g/mol |
| Monoisotopic Mass | 248.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number