| CAS Number | 186498-24-8 |
| Catalog Number | AG003BV4(AGN-PC-03X8NN) |
| Chemical Name | (4-Butyrylphenyl)boronic acid |
| IUPAC Name | (4-butanoylphenyl)boronic acid |
| InChI | InChI=1S/C10H13BO3/c1-2-3-10(12)8-4-6-9(7-5-8)11(13)14/h4-7,13-14H,2-3H2,1H3 |
| InChI Key | IGYWRXHZSLSNLZ-UHFFFAOYSA-N |
| MDL Number | MFCD08701778 |
| Molecular Formula | C10H13BO3 |
| Molecular Weight | 192.0194 |
| SMILES | C(CCC)(=O)C1=CC=C(C=C1)B(O)O |
| Synonyms | (4-Butyrylphenyl)boronic acid,
186498-24-8,
4-BUTYRYLPHENYLBORONIC ACID,
(4-Butanoylphenyl)boronic acid,
ACMC-209eo7,
AKOS BRN-1184,
SCHEMBL7366243,
CTK4D9254,
DTXSID10629665,
ANW-23285,
MFCD08701778,
AKOS004115064,
ZINC169844750,
OR360547,
AX8236239,
TR-035992,
X0589,
B-7564,
C10H13BO3,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.021g/mol |
| Monoisotopic Mass | 192.096g/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