| CAS Number | 2096329-55-2 |
| Catalog Number | AG01EHJM |
| Chemical Name | 5-Methyl-2-pentyloxypyridine-3-boronic acid |
| IUPAC Name | (5-methyl-2-pentoxypyridin-3-yl)boronic acid |
| InChI | InChI=1S/C11H18BNO3/c1-3-4-5-6-16-11-10(12(14)15)7-9(2)8-13-11/h7-8,14-15H,3-6H2,1-2H3 |
| InChI Key | OTGSYYPDJUWYGA-UHFFFAOYSA-N |
| MDL Number | MFCD18311830 |
| Molecular Formula | C11H18BNO3 |
| Molecular Weight | 223.0765 |
| SMILES | CCCCCOc1ncc(cc1B(O)O)C |
| Synonyms | 5-METHYL-2-PENTYLOXYPYRIDINE-3-BORONIC ACID,
2096329-55-2,
(5-Methyl-2-(pentyloxy)pyridin-3-yl)boronic acid,
MFCD18311830,
ZINC169934591,
Y2846,
B-9249,
C11H18BNO3,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.079g/mol |
| Monoisotopic Mass | 223.138g/mol |
| Rotatable Bond Count | 6 |
| 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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