5-(Isoxazol-3-yl)oxazole-4-carboxylic Acid - CAS 1250404-35-3
Catalog: |
BB063848 |
Product Name: |
5-(Isoxazol-3-yl)oxazole-4-carboxylic Acid |
CAS: |
1250404-35-3 |
Synonyms: |
5-(3-Isoxazolyl)-4-oxazolecarboxylic Acid |
IUPAC Name: | 5-(1,2-oxazol-3-yl)-1,3-oxazole-4-carboxylic acid |
Description: | 5-(Isoxazol-3-yl)oxazole-4-carboxylic Acid has been used as a reactant for the preparation of pyrazole and imidazole derivatives as orexin antagonists. |
Molecular Weight: | 180.12 |
Molecular Formula: | C7H4N2O4 |
Canonical SMILES: | C1=CON=C1C2=C(N=CO2)C(=O)O |
InChI: | InChI=1S/C7H4N2O4/c10-7(11)5-6(12-3-8-5)4-1-2-13-9-4/h1-3H,(H,10,11) |
InChI Key: | MHJMDBBAEVYPIZ-UHFFFAOYSA-N |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.01710661 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.01710661 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 89.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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