| CAS Number | 141679-57-4 |
| Catalog Number | AG01BVJO(AGN-PC-03X9CM) |
| Chemical Name | 2-(1,2-Oxazol-4-yl)acetic acid |
| IUPAC Name | 2-(1,2-oxazol-4-yl)acetic acid |
| InChI | InChI=1S/C5H5NO3/c7-5(8)1-4-2-6-9-3-4/h2-3H,1H2,(H,7,8) |
| InChI Key | AJCXYOOVQPARJJ-UHFFFAOYSA-N |
| MDL Number | MFCD08701347 |
| Molecular Formula | C5H5NO3 |
| Molecular Weight | 127.0981 |
| SMILES | OC(CC1=CON=C1)=O |
| Synonyms | 2-(1,2-oxazol-4-yl)acetic acid,
141679-57-4,
SCHEMBL7455348,
ZINC20417417,
AKOS003673057,
Z2694742663,
2-(isoxazol-4-yl)acetic acid,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.099g/mol |
| Monoisotopic Mass | 127.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number