| CAS Number | 2059988-55-3 |
| Catalog Number | AG01BWI5 |
| Chemical Name | 3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxylic acid |
| IUPAC Name | 3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C8H9NO4/c1-8(3-12-4-8)6-5(7(10)11)2-13-9-6/h2H,3-4H2,1H3,(H,10,11) |
| InChI Key | LQDDGECSSPCHRQ-UHFFFAOYSA-N |
| MDL Number | MFCD30477147 |
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.1614 |
| SMILES | CC1(C2C(C(O)=O)=CON=2)COC1 |
| Synonyms | 3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxylic acid,
2059988-55-3,
ZINC521400564,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.163g/mol |
| Monoisotopic Mass | 183.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number