| CAS Number | 163619-95-2 |
| Catalog Number | AG01AGJK(AGN-PC-0WOCEV) |
| Chemical Name | 3-Tert-butyl-1,2,4-oxadiazol-5-ol |
| IUPAC Name | 3-tert-butyl-4H-1,2,4-oxadiazol-5-one |
| InChI | InChI=1S/C6H10N2O2/c1-6(2,3)4-7-5(9)10-8-4/h1-3H3,(H,7,8,9) |
| InChI Key | KPLBMUMCVZXMAC-UHFFFAOYSA-N |
| MDL Number | MFCD18089446 |
| Molecular Formula | C6H10N2O2 |
| Molecular Weight | 142.1558 |
| SMILES | CC(C1N=C(O)ON=1)(C)C |
| Synonyms | 3-tert-butyl-1,2,4-oxadiazol-5-ol,
163619-95-2,
AC1Q1MEQ,
SCHEMBL84973,
STL301946,
ZINC53751248,
AKOS011888274,
AKOS022098480,
MCULE-6311720039,
NE37826,
EN300-72039,
Z1258992448,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.158g/mol |
| Monoisotopic Mass | 142.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number