| CAS Number | 1368343-41-2 |
| Catalog Number | AG01BT47 |
| Chemical Name | 5-Cyclobutyl-1,2-oxazole-3-carboxylic acid |
| IUPAC Name | 5-cyclobutyl-1,2-oxazole-3-carboxylic acid |
| InChI | InChI=1S/C8H9NO3/c10-8(11)6-4-7(12-9-6)5-2-1-3-5/h4-5H,1-3H2,(H,10,11) |
| InChI Key | VCXWKMHPBXCDRO-UHFFFAOYSA-N |
| MDL Number | MFCD22068057 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.162 |
| SMILES | OC(C1=NOC(C2CCC2)=C1)=O |
| Synonyms | 5-Cyclobutylisoxazole-3-carboxylic acid,
1368343-41-2,
ZINC82402751,
CS-0081487,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.164g/mol |
| Monoisotopic Mass | 167.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number