| CAS Number | 1814939-13-3 |
| Catalog Number | AG00I0BD(AGN-PC-0WQZ71) |
| Chemical Name | 2-Carboxypyrimidine-5-boronic acid |
| IUPAC Name | 5-boronopyrimidine-2-carboxylic acid |
| InChI | InChI=1S/C5H5BN2O4/c9-5(10)4-7-1-3(2-8-4)6(11)12/h1-2,11-12H,(H,9,10) |
| InChI Key | LVFZDVKAXITDBK-UHFFFAOYSA-N |
| MDL Number | MFCD20657311 |
| Molecular Formula | C5H5BN2O4 |
| Molecular Weight | 167.9152 |
| SMILES | OB(c1cnc(nc1)C(=O)O)O |
| Synonyms | 2-Carboxypyrimidine-5-boronic acid,
1814939-13-3,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.915g/mol |
| Monoisotopic Mass | 168.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number