| CAS Number | 1033745-21-9 |
| Catalog Number | AG009476(AGN-PC-09TA1Z) |
| Chemical Name | (5-Acetylpyridin-3-yl)boronic acid |
| IUPAC Name | (5-acetylpyridin-3-yl)boronic acid |
| InChI | InChI=1S/C7H8BNO3/c1-5(10)6-2-7(8(11)12)4-9-3-6/h2-4,11-12H,1H3 |
| InChI Key | MJFGIOXMWMNLOK-UHFFFAOYSA-N |
| MDL Number | MFCD10696658 |
| Molecular Formula | C7H8BNO3 |
| Molecular Weight | 164.9543 |
| SMILES | O=C(C1=CN=CC(B(O)O)=C1)C |
| Synonyms | (5-ACETYLPYRIDIN-3-YL)BORONIC ACID,
1033745-21-9,
5-ACETYLPYRIDINE-3-BORONIC ACID,
5-acetylpyridin-3-ylboronic acid,
SCHEMBL5105519,
DTXSID90701211,
MFCD10696658,
AKOS006304824,
ZINC169988651,
AB57856,
DA-16105,
Boronic acid, B-(5-acetyl-3-pyridinyl)-,
FT-0732826,
Z6657,
C7H8BNO3,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.955g/mol |
| Monoisotopic Mass | 165.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number