| CAS Number | 1267443-54-8 |
| Catalog Number | AG01ABL9(AGN-PC-0WO755) |
| Chemical Name | 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid |
| IUPAC Name | 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C8H9NO3/c1-4-6(8(10)11)12-7(9-4)5-2-3-5/h5H,2-3H2,1H3,(H,10,11) |
| InChI Key | VQAPIFVUWQERRL-UHFFFAOYSA-N |
| MDL Number | MFCD19347273 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.1620 |
| SMILES | CC1=C(C(O)=O)OC(C2CC2)=N1 |
| Synonyms | 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid,
1267443-54-8,
SCHEMBL18114139,
ZINC58518156,
AKOS014313224,
MCULE-8366485877,
NE24627,
Z1675167242,
|
| Complexity | 203 |
| 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 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number