| CAS Number | 1908439-18-8 |
| Catalog Number | AG00I2TK(AGN-PC-0WOH3H) |
| Chemical Name | [4-(Dimethoxymethyl)pyridin-2-yl]boronic acid |
| IUPAC Name | [4-(dimethoxymethyl)pyridin-2-yl]boronic acid |
| InChI | InChI=1S/C8H12BNO4/c1-13-8(14-2)6-3-4-10-7(5-6)9(11)12/h3-5,8,11-12H,1-2H3 |
| InChI Key | CVHONOUKMLWVEE-UHFFFAOYSA-N |
| MDL Number | MFCD23699491 |
| Molecular Formula | C8H12BNO4 |
| Molecular Weight | 196.9962 |
| SMILES | COC(c1ccnc(c1)B(O)O)OC |
| Synonyms | [4-(Dimethoxymethyl)pyridin-2-yl]boronic acid,
1908439-18-8,
(4-(Dimethoxymethyl)pyridin-2-yl)boronic acid,
ZINC169988611,
V9987,
C8H12BNO4,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.997g/mol |
| Monoisotopic Mass | 197.086g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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