| CAS Number | 1354962-50-7 |
| Catalog Number | AG019SCD(AGN-PC-0WODOO) |
| Chemical Name | 3-(pyridin-2-yl)-1,2-oxazole-5-carboxylic acid hydrochloride |
| IUPAC Name | 3-pyridin-2-yl-1,2-oxazole-5-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H6N2O3.ClH/c12-9(13)8-5-7(11-14-8)6-3-1-2-4-10-6;/h1-5H,(H,12,13);1H |
| InChI Key | JIJCLNNFNFHBEC-UHFFFAOYSA-N |
| MDL Number | MFCD20502037 |
| Molecular Formula | C9H7ClN2O3 |
| Molecular Weight | 226.6165 |
| SMILES | Cl.OC(C1ON=C(C2=NC=CC=C2)C=1)=O |
| Synonyms | 3-(pyridin-2-yl)-1,2-oxazole-5-carboxylic acid hydrochloride,
1354962-50-7,
AKOS008123549,
MCULE-9973781003,
NE32824,
EN300-93110,
Z1270207972,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.616g/mol |
| Monoisotopic Mass | 226.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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