| CAS Number | 871021-80-6 |
| Catalog Number | AG01C2IB(AGN-PC-03ZJSY) |
| Chemical Name | Tert-Butyl 4-Cyanooxane-4-Carboxylate |
| IUPAC Name | tert-butyl 4-cyanooxane-4-carboxylate |
| InChI | InChI=1S/C11H17NO3/c1-10(2,3)15-9(13)11(8-12)4-6-14-7-5-11/h4-7H2,1-3H3 |
| InChI Key | LOBABGZOSPVIBH-UHFFFAOYSA-N |
| MDL Number | MFCD29060300 |
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.2576 |
| SMILES | CC(OC(C1(C#N)CCOCC1)=O)(C)C |
| Synonyms | tert-butyl 4-cyanooxane-4-carboxylate,
871021-80-6,
SCHEMBL1973582,
LOBABGZOSPVIBH-UHFFFAOYSA-N,
ZINC59683239,
AKOS033866498,
EN300-251706,
tert-butyl 4-cyanotetrahydro-2H-pyran-4-carboxylate,
Z2327883707,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.261g/mol |
| Monoisotopic Mass | 211.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number