| CAS Number | 1153313-94-0 |
| Catalog Number | AG019N2I(AGN-PC-0WO0IE) |
| Chemical Name | 4-(3-Propyl-1,2,4-oxadiazol-5-yl)butanoic acid |
| IUPAC Name | 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoic acid |
| InChI | InChI=1S/C9H14N2O3/c1-2-4-7-10-8(14-11-7)5-3-6-9(12)13/h2-6H2,1H3,(H,12,13) |
| InChI Key | IUYDTYGTSNWBNY-UHFFFAOYSA-N |
| MDL Number | MFCD12108184 |
| Molecular Formula | C9H14N2O3 |
| Molecular Weight | 198.2191 |
| SMILES | CCCC1N=C(CCCC(O)=O)ON=1 |
| Synonyms | 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoic acid,
1153313-94-0,
AC1Q2V47,
CTK6D5102,
ZINC35255570,
AKOS009321340,
MCULE-4619741994,
NE22524,
EN300-39226,
Z1235963270,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.222g/mol |
| Monoisotopic Mass | 198.1g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number