| CAS Number | 1256346-29-8 |
| Catalog Number | AG000O16(AGN-PC-0WQUF7) |
| Chemical Name | 4-(3-Methylbutanoyl)phenylboronic acid |
| IUPAC Name | [4-(3-methylbutanoyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H15BO3/c1-8(2)7-11(13)9-3-5-10(6-4-9)12(14)15/h3-6,8,14-15H,7H2,1-2H3 |
| InChI Key | HFIQYDWQIGRTGC-UHFFFAOYSA-N |
| MDL Number | MFCD16295077 |
| Molecular Formula | C11H15BO3 |
| Molecular Weight | 206.0460 |
| SMILES | OB(c1ccc(cc1)C(=O)CC(C)C)O |
| Synonyms | 1256346-29-8,
4-(3-METHYLBUTANOYL)PHENYLBORONIC ACID,
(4-(3-Methylbutanoyl)phenyl)boronic acid,
4-(3-methyl butanoyl)phenylboronic acid,
[4-(3-methylbutanoyl)phenyl]boronic acid,
CTK4B4543,
DTXSID30681664,
ANW-18420,
MFCD16295077,
AKOS015841756,
ZINC169934309,
TR-035200,
X1868,
K-1865,
Boronic acid, B-[4-(3-methyl-1-oxobutyl)phenyl]-,
C11H15BO3,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.048g/mol |
| Monoisotopic Mass | 206.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number