| CAS Number | 855747-49-8 |
| Catalog Number | AG01ALW7 |
| Chemical Name | 3-(1,2-Oxazol-3-yl)propanoic acid |
| IUPAC Name | 3-(1,2-oxazol-3-yl)propanoic acid |
| InChI | InChI=1S/C6H7NO3/c8-6(9)2-1-5-3-4-10-7-5/h3-4H,1-2H2,(H,8,9) |
| InChI Key | VIQGTOBLWCFKHL-UHFFFAOYSA-N |
| MDL Number | MFCD10700173 |
| Molecular Formula | C6H7NO3 |
| Molecular Weight | 141.1247 |
| SMILES | OC(CCC1=NOC=C1)=O |
| Synonyms | 3-(1,2-oxazol-3-yl)propanoic acid,
855747-49-8,
isoxazolepropionic acid,
SCHEMBL2947389,
ZINC20417434,
AKOS006304411,
Z2213893378,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.126g/mol |
| Monoisotopic Mass | 141.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number