| CAS Number | 1249719-58-1 |
| Catalog Number | AG01ACPF(AGN-PC-0WO5T2) |
| Chemical Name | 2-(cyclopropylmethyl)-1,3-oxazole-4-carboxylic acid |
| IUPAC Name | 2-(cyclopropylmethyl)-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C8H9NO3/c10-8(11)6-4-12-7(9-6)3-5-1-2-5/h4-5H,1-3H2,(H,10,11) |
| InChI Key | YBENHIXGENREIN-UHFFFAOYSA-N |
| MDL Number | MFCD16698620 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.1620 |
| SMILES | OC(C1N=C(CC2CC2)OC=1)=O |
| Synonyms | 2-(cyclopropylmethyl)-1,3-oxazole-4-carboxylic acid,
1249719-58-1,
ZINC51075463,
AKOS011518028,
NE33591,
|
| 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 | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number