| CAS Number | 1688702-80-8 |
| Catalog Number | AG00HZ98 |
| Chemical Name | 4-Propoxy-2-methylphenylboronic acid, pinacol ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(2-methyl-4-propoxyphenyl)-1,3,2-dioxaborolane |
| InChI | InChI=1S/C16H25BO3/c1-7-10-18-13-8-9-14(12(2)11-13)17-19-15(3,4)16(5,6)20-17/h8-9,11H,7,10H2,1-6H3 |
| InChI Key | XKZKJMFESWWGOR-UHFFFAOYSA-N |
| MDL Number | MFCD24039891 |
| Molecular Formula | C16H25BO3 |
| Molecular Weight | 276.1789 |
| SMILES | CCCOc1ccc(c(c1)C)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 4-Propoxy-2-methylphenylboronic acid, pinacol ester,
1688702-80-8,
AKOS021456029,
ZINC170008929,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.183g/mol |
| Monoisotopic Mass | 276.19g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 27.7A^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