| CAS Number | 1256786-78-3 |
| Catalog Number | AG01AUE1(AGN-PC-0WCMFE) |
| Chemical Name | 2-(2-Methyl-4-pyridinyl)-4-oxazolecarboxylic acid |
| IUPAC Name | 2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C10H8N2O3/c1-6-4-7(2-3-11-6)9-12-8(5-15-9)10(13)14/h2-5H,1H3,(H,13,14) |
| InChI Key | LKLDHJQEIFNERC-UHFFFAOYSA-N |
| MDL Number | MFCD18261012 |
| Molecular Formula | C10H8N2O3 |
| Molecular Weight | 204.1821 |
| SMILES | O=C(C1=COC(C2=CC(C)=NC=C2)=N1)O |
| Synonyms | 2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxylic acid,
1256786-78-3,
2-(2-methylpyridin-4-yl)oxazole-4-carboxylic acid,
SCHEMBL12800272,
AKOS027196650,
ZINC143680574,
Z2235409283,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.185g/mol |
| Monoisotopic Mass | 204.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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