| CAS Number | 21175-44-0 |
| Catalog Number | AG01EHRE(AGN-PC-005B7N) |
| Chemical Name | 5-tert-butyloxolan-2-one |
| IUPAC Name | 5-tert-butyloxolan-2-one |
| InChI | InChI=1S/C8H14O2/c1-8(2,3)6-4-5-7(9)10-6/h6H,4-5H2,1-3H3 |
| InChI Key | JOOOWMKNPUTDKK-UHFFFAOYSA-N |
| MDL Number | MFCD31446541 |
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1956 |
| SMILES | CC(C1OC(=O)CC1)(C)C |
| Synonyms | 5-tert-butyloxolan-2-one,
5-tert-Butyloxolane-2-one,
SCHEMBL2664154,
21175-44-0,
CID11252070,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.198g/mol |
| Monoisotopic Mass | 142.099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number