1,2-Dimethylimidazol-5-ylboronic Acid - CAS 554453-76-8
Catalog: |
BB063056 |
Product Name: |
1,2-Dimethylimidazol-5-ylboronic Acid |
CAS: |
554453-76-8 |
Synonyms: |
B-(1,2-Dimethyl-1H-imidazol-5-yl)boronic Acid; (1,2-Dimethyl-1H-imidazol-5-yl)boronic Acid |
IUPAC Name: | (2,3-dimethylimidazol-4-yl)boronic acid |
Description: | 1,2-Dimethylimidazol-5-ylboronic Acid can be used to treat disorders characterized by the activation of Wnt pathway signaling. |
Molecular Weight: | 139.94 |
Molecular Formula: | C5H9BN2O2 |
Canonical SMILES: | B(C1=CN=C(N1C)C)(O)O |
InChI: | InChI=1S/C5H9BN2O2/c1-4-7-3-5(6(9)10)8(4)2/h3,9-10H,1-2H3 |
InChI Key: | BDDKQPMDNDUVJC-UHFFFAOYSA-N |
References: | Kc, S.K., et.al. PCT Int. Appl., 229, (2019). |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.0757077 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.0757077 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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