| CAS Number | 2096331-11-0 |
| Catalog Number | AG01EHNT |
| Chemical Name | 4-Acetyl-2-methylphenylboronic acid |
| IUPAC Name | (4-acetyl-2-methylphenyl)boronic acid |
| InChI | InChI=1S/C9H11BO3/c1-6-5-8(7(2)11)3-4-9(6)10(12)13/h3-5,12-13H,1-2H3 |
| InChI Key | UMMXHEAOPLVLKG-UHFFFAOYSA-N |
| MDL Number | MFCD19237178 |
| Molecular Formula | C9H11BO3 |
| Molecular Weight | 177.9928 |
| SMILES | OB(C1=CC=C(C(C)=O)C=C1C)O |
| Synonyms | 4-Acetyl-2-methylphenylboronic acid,
2096331-11-0,
(4-acetyl-2-methylphenyl)boronic acid,
MFCD19237178,
ZINC169951697,
Y2695,
A-3658,
C9H11BO3,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.994g/mol |
| Monoisotopic Mass | 178.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number