| CAS Number | 1038356-92-1 |
| Catalog Number | AG019MZ2(AGN-PC-0WOBFJ) |
| Chemical Name | 4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]butanoic acid |
| IUPAC Name | 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid |
| InChI | InChI=1S/C9H14N2O3/c1-6(2)9-10-7(14-11-9)4-3-5-8(12)13/h6H,3-5H2,1-2H3,(H,12,13) |
| InChI Key | NNGFUHPRRCAMOK-UHFFFAOYSA-N |
| MDL Number | MFCD11099600 |
| Molecular Formula | C9H14N2O3 |
| Molecular Weight | 198.2191 |
| SMILES | CC(C1N=C(CCCC(O)=O)ON=1)C |
| Synonyms | 4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]butanoic acid,
1038356-92-1,
4-(3-isopropyl-1,2,4-oxadiazol-5-yl)butanoic acid,
AC1Q1OZ9,
CTK6A6157,
ZINC20441089,
AKOS008119676,
MCULE-9018524759,
NE49221,
EN300-38984,
|
| Complexity | 197 |
| 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 | 5 |
| 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