| CAS Number | 2096332-40-8 |
| Catalog Number | AG01EHIA |
| Chemical Name | 5-Methyl-2-propoxypyridine-3-boronic acid |
| IUPAC Name | (5-methyl-2-propoxypyridin-3-yl)boronic acid |
| InChI | InChI=1S/C9H14BNO3/c1-3-4-14-9-8(10(12)13)5-7(2)6-11-9/h5-6,12-13H,3-4H2,1-2H3 |
| InChI Key | FMUUKBNUYMVOTP-UHFFFAOYSA-N |
| MDL Number | MFCD18783119 |
| Molecular Formula | C9H14BNO3 |
| Molecular Weight | 195.0234 |
| SMILES | OB(C1=CC(C)=CN=C1OCCC)O |
| Synonyms | 5-METHYL-2-PROPOXYPYRIDINE-3-BORONIC ACID,
2096332-40-8,
(5-methyl-2-propoxypyridin-3-yl)boronic acid,
MFCD18783119,
ZINC169934604,
Y2847,
A-3258,
C9H14BNO3,
|
| Complexity | 168 |
| 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 | 4 |
| 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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