| CAS Number | 141501-27-1 |
| Catalog Number | AG006XMU(AGN-PC-03X9CJ) |
| Chemical Name | 3-(Isoxazol-4-yl)propanoic acid |
| IUPAC Name | 3-(1,2-oxazol-4-yl)propanoic acid |
| InChI | InChI=1S/C6H7NO3/c8-6(9)2-1-5-3-7-10-4-5/h3-4H,1-2H2,(H,8,9) |
| InChI Key | YSXIJTDOCXJNHI-UHFFFAOYSA-N |
| MDL Number | MFCD08701342 |
| Molecular Formula | C6H7NO3 |
| Molecular Weight | 141.1247 |
| SMILES | OC(CCC1=CON=C1)=O |
| Synonyms | 3-(Isoxazol-4-yl)propanoic acid,
141501-27-1,
4-Isoxazolepropanoic acid,
3-ISOXAZOL-4-YL-PROPIONIC ACID,
ACMC-20n0jr,
4-isoxazole propionic acid,
SCHEMBL5901329,
CTK0B6943,
DTXSID40629714,
ZINC20417432,
3-(1,2-Oxazol-4-yl)propanoic acid,
AKOS003674009,
AJ-77424,
3-(isoxazol-4-yl)propanoic acid AldrichCPR,
3-(isoxazol-4-yl)propanoic acid, AldrichCPR,
Z-5576,
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| 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 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number