| CAS Number | 1402238-33-8 |
| Catalog Number | AG009WV0(AGN-PC-0WA6UK) |
| Chemical Name | 6-Isoproxy-5-methylpyridine-3-boronic acid |
| IUPAC Name | (5-methyl-6-propan-2-yloxypyridin-3-yl)boronic acid |
| InChI | InChI=1S/C9H14BNO3/c1-6(2)14-9-7(3)4-8(5-11-9)10(12)13/h4-6,12-13H,1-3H3 |
| InChI Key | CDAZRJFZSURUSR-UHFFFAOYSA-N |
| MDL Number | MFCD13181629 |
| Molecular Formula | C9H14BNO3 |
| Molecular Weight | 195.0234 |
| SMILES | c1(cnc(c(c1)C)OC(C)C)B(O)O |
| Synonyms | 1402238-33-8,
2-Isoproxy-3-methylpyridine-5-boronic acid,
(6-Isopropoxy-5-methylpyridin-3-yl)boronic acid,
MFCD13181629,
AKOS022181665,
ZINC169951732,
6-Isoproxy-5-methylpyridine-3-boronic acid,
V3044,
6-isopropoxy-5-methylpyridin-3-ylboronic acid,
A-2944,
C9H14BNO3,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.025g/mol |
| Monoisotopic Mass | 195.107g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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