| CAS Number | 2144373-91-9 |
| Catalog Number | AG01DZ9D |
| Chemical Name | 3-(2-methylcyclopropyl)-1,2-oxazole-4-carboxylic acid |
| IUPAC Name | 3-(2-methylcyclopropyl)-1,2-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C8H9NO3/c1-4-2-5(4)7-6(8(10)11)3-12-9-7/h3-5H,2H2,1H3,(H,10,11) |
| InChI Key | CBJUTYVSYLOKGM-UHFFFAOYSA-N |
| MDL Number | MFCD30688269 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.162 |
| SMILES | CC1C(C2C(C(O)=O)=CON=2)C1 |
| Synonyms | 3-(2-methylcyclopropyl)-1,2-oxazole-4-carboxylic acid,
2144373-91-9,
|
| Complexity | 207 |
| 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 | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number