| CAS Number | 1451391-77-7 |
| Catalog Number | AG00AAZH |
| Chemical Name | 6-ethoxy-5-methylpyridine-3-boronic acid |
| IUPAC Name | (6-ethoxy-5-methylpyridin-3-yl)boronic acid |
| InChI | InChI=1S/C8H12BNO3/c1-3-13-8-6(2)4-7(5-10-8)9(11)12/h4-5,11-12H,3H2,1-2H3 |
| InChI Key | SFGDPXBBFQWHEF-UHFFFAOYSA-N |
| MDL Number | MFCD13181608 |
| Molecular Formula | C8H12BNO3 |
| Molecular Weight | 180.9968 |
| SMILES | C(C)OC1=C(C=C(C=N1)B(O)O)C |
| Synonyms | 2-ETHOXY-3-METHYLPYRIDINE-5-BORONIC ACID,
1451391-77-7,
(6-Ethoxy-5-methylpyridin-3-yl)boronic acid,
MFCD13181608,
AKOS022181750,
ZINC169794717,
6-Ethoxy-5-methylpyridine-3-boronic acid,
BC001649,
Z1335,
A-3578,
6-Ethoxy-5-methylpyridine-3-boronic acid, AldrichCPR,
C8H12BNO3,
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.998g/mol |
| Monoisotopic Mass | 181.091g/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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