| CAS Number | 2246887-09-0 |
| Catalog Number | AG00SIIB(AGN-PC-3H45A3) |
| Chemical Name | (4-(3,3-dimethylbutanamido)phenyl)boronic acid |
| IUPAC Name | [4-(3,3-dimethylbutanoylamino)phenyl]boronic acid |
| InChI | InChI=1S/C12H18BNO3/c1-12(2,3)8-11(15)14-10-6-4-9(5-7-10)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15) |
| InChI Key | FVYFFUGICORKLG-UHFFFAOYSA-N |
| MDL Number | MFCD31916418 |
| Molecular Formula | C12H18BNO3 |
| Molecular Weight | 235.0872 |
| SMILES | CC(CC(=O)NC1=CC=C(C=C1)B(O)O)(C)C |
| Synonyms | [4-(3,3-dimethylbutanamido)phenyl]boronic acid,
2246887-09-0,
AS-55392,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.09g/mol |
| Monoisotopic Mass | 235.138g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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