| CAS Number | 1162256-87-2 |
| Catalog Number | AG000BZ6(AGN-PC-09PZ3F) |
| Chemical Name | 2-Ethoxy-5-methylpyridine-3-boronic acid |
| IUPAC Name | (2-ethoxy-5-methylpyridin-3-yl)boronic acid |
| InChI | InChI=1S/C8H12BNO3/c1-3-13-8-7(9(11)12)4-6(2)5-10-8/h4-5,11-12H,3H2,1-2H3 |
| InChI Key | YABYKZFYIQYKMI-UHFFFAOYSA-N |
| MDL Number | MFCD18382896 |
| Molecular Formula | C8H12BNO3 |
| Molecular Weight | 180.9968 |
| SMILES | CCOc1ncc(cc1B(O)O)C |
| Synonyms | 1162256-87-2,
(2-Ethoxy-5-methylpyridin-3-yl)boronic acid,
2-ETHOXY-5-METHYLPYRIDINE-3-BORONIC ACID,
ACMC-2099s5,
CTK4A9686,
DTXSID20681734,
ANW-16947,
MFCD18382896,
AKOS015838995,
ZINC169934753,
FCH1190935,
OR360556,
AX8236690,
TR-034152,
W9912,
A-3512,
Boronic acid, B-(2-ethoxy-5-methyl-3-pyridinyl)-,
I02-3320,
C8H12BNO3,
(2-Ethoxy-5-methylpyridin-3-yl)boronicacid,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number