| CAS Number | 1330763-36-4 |
| Catalog Number | AG00HSR3(AGN-PC-0WG4FN) |
| Chemical Name | tert-Butyl 7-cyano-5-oxa-2-azaspiro[3.4]octane-2-carboxylate |
| IUPAC Name | tert-butyl 7-cyano-5-oxa-2-azaspiro[3.4]octane-2-carboxylate |
| InChI | InChI=1S/C12H18N2O3/c1-11(2,3)17-10(15)14-7-12(8-14)4-9(5-13)6-16-12/h9H,4,6-8H2,1-3H3 |
| InChI Key | BHFLELXWSBJKPH-UHFFFAOYSA-N |
| MDL Number | MFCD20230646 |
| Molecular Formula | C12H18N2O3 |
| Molecular Weight | 238.2829 |
| SMILES | CC(OC(N1CC2(OCC(C#N)C2)C1)=O)(C)C |
| Synonyms | tert-butyl 7-cyano-5-oxa-2-azaspiro[3.4]octane-2-carboxylate,
1330763-36-4,
MFCD20230646,
AKOS027255219,
AM805702,
CS-0038800,
t-Butyl 7-cyano-5-oxa-2-azaspiro[3.4]octane-2-carboxylate,
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| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.287g/mol |
| Monoisotopic Mass | 238.132g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number