3-Methylisoxazol-4-yl Boronic Acid - CAS 1224884-06-3
Catalog: |
BB059609 |
Product Name: |
3-Methylisoxazol-4-yl Boronic Acid |
CAS: |
1224884-06-3 |
Synonyms: |
B-(3-Methyl-4-isoxazolyl)-boronic Acid |
IUPAC Name: | (3-methyl-1,2-oxazol-4-yl)boronic acid |
Description: | 3-Methylisoxazol-4-yl Boronic Acid is a reactant that has been used to synthesize triazine derivatives to be used as inhibitors of phosphodiesterases. |
Molecular Weight: | 126.91 |
Molecular Formula: | C4H6BNO3 |
Canonical SMILES: | B(C1=CON=C1C)(O)O |
InChI: | InChI=1S/C4H6BNO3/c1-3-4(5(7)8)2-9-6-3/h2,7-8H,1H3 |
InChI Key: | AAEGXJZTOOPPFG-UHFFFAOYSA-N |
Complexity: | 99.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.0440732 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.0440732 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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