| CAS Number | 1342514-34-4 |
| Catalog Number | AG01B1H8 |
| Chemical Name | tert-butyl oxolane-2-carboxylate |
| IUPAC Name | tert-butyl oxolane-2-carboxylate |
| InChI | InChI=1S/C9H16O3/c1-9(2,3)12-8(10)7-5-4-6-11-7/h7H,4-6H2,1-3H3 |
| InChI Key | BNPRLRIPNIPHRO-UHFFFAOYSA-N |
| MDL Number | MFCD19600043 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | CC(OC(C1OCCC1)=O)(C)C |
| Synonyms | tert-butyl oxolane-2-carboxylate,
1342514-34-4,
AKOS013212239,
MCULE-1091718771,
NE16513,
Z1801361825,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number